SCHEMBL10196756

SCHEMBL10196756

CN(C)[C@@H]1CCCN(Cc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.60
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
KDM4E B2RXH2 2/20 0.54
BCHE P06276 2/20 0.54
ACHE P22303 2/20 0.51
LTA4H P09960 1/20 0.51
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HPGD P15428 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10196730 1.00 CYP2D6 (0.60) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1911332 0.90 LTA4H (0.60) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL13634431 0.90 LTA4H (0.60) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL13024536 0.90 LTA4H (0.60) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL4592047 0.86 MEN1 (0.51) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL11841089 0.85 KDM4E (0.59) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL19717464 0.84 BCHE (0.61) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL8176845 0.83 FUCA1 (0.55) ACHE
SCHEMBL18500470 0.83 ALDH1A1 (0.52) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL18500462 0.83 ALDH1A1 (0.52) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-20170137411-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2017-05-18 US disclosed
US-9566283-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-9248132-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2016-02-02 US disclosed
US-20150307515-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC (US) 2015-10-29 US disclosed
EP-2389372-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2015-09-09 EP disclosed
US-9084795-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-8735400-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2014-05-27 US disclosed
US-20140011770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2014-01-09 US disclosed
US-20130310364-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-8530656-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2013-09-10 US disclosed
US-8524901-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
US-8507675-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8324200-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-20120046245-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-02-23 US disclosed
US-20120016122-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-19 US disclosed
US-20120016131-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-19 US disclosed
US-20120010407-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-12 US disclosed
US-20120010406-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. 2012-01-12 US disclosed
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120010407-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2D6 3036/4885ALDH1A1 3988/4885CYP1A2 2611/4885
US-20140011770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2D6 3036/4885ALDH1A1 3988/4885CYP1A2 2611/4885
US-20170137411-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2D6 3036/4885ALDH1A1 3988/4885CYP1A2 2611/4885
US-20120016122-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2D6 3036/4885ALDH1A1 3988/4885CYP1A2 2611/4885
US-20100190770-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2D6 3036/4885ALDH1A1 3988/4885CYP1A2 2611/4885
US-20130310364-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2D6 3036/4885ALDH1A1 3988/4885CYP1A2 2611/4885
US-20120010406-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2D6 3036/4885ALDH1A1 3988/4885CYP1A2 2611/4885
US-20120016131-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2D6 3036/4885ALDH1A1 3988/4885CYP1A2 2611/4885
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 CYP2D6 3036/4885ALDH1A1 3988/4885CYP1A2 2611/4885
US-20150307515-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2D6 3036/4885ALDH1A1 3988/4885CYP1A2 2611/4885
US-20120046245-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2D6 3036/4885ALDH1A1 3988/4885CYP1A2 2611/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.