SCHEMBL16309014

SCHEMBL16309014

COC(=O)C1CCN(C(=O)c2ccc3cc(C)ccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
ALDH1A1 P00352 3/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSP90AA1 P07900 1/20 0.52
L3MBTL3 Q96JM7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GLA P06280 1/20 0.51
POLB P06746 2/20 0.50
MGLL Q99685 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL19829315 0.88 TSHR (0.69) TSHRALDH1A1KMT2ANPC1RAB9A
SCHEMBL12471546 0.87 TSHR (0.58) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12471154 0.84 TSHR (0.58) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10724061 0.83 TSHR (0.78) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10720174 0.81 TSHR (0.63) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24495698 0.81 TSHR (0.66) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12471398 0.78 HRH3 (0.57) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12471396 0.78 HRH3 (0.57) TSHRCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12911161 0.78 TSHR (0.69) TSHRKMT2ANPC1RAB9AGLA
SCHEMBL3660045 0.77 TSHR (0.69) TSHRCYP1A2CYP3A4CYP2D6CYP2C9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10034869-B2 S1P modulating agents BIOGEN MA INC. (US) 2018-07-31 US disclosed
US-20180028511-A1 S1P MODULATING AGENTS BIOGEN IDEC MA 2018-02-01 US disclosed
US-9808449-B2 S1P modulating agents BIOGEN MA INC. (US) 2017-11-07 US disclosed
US-20160263093-A1 S1P modulating agents BIOGEN MA INC. 2016-09-15 US disclosed
US-9340527-B2 S1P modulating agents BIOGEN MA INC. (US) 2016-05-17 US disclosed
US-20140371209-A1 S1P Modulating Agents BIOGEN MA INC. 2014-12-18 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 (4 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-20140371209-A1 S1P Modulating Agents S1PR2, S1PR1, S1PR3 TSHR 259/4885CYP1A2 4239/4885CYP3A4 4700/4885
US-10034869-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 TSHR 659/4885CYP1A2 2926/4885CYP3A4 3333/4885
US-20180028511-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 TSHR 521/4885CYP1A2 2647/4885CYP3A4 3438/4885
US-20160263093-A1 S1P modulating agents S1PR2, S1PR1, S1PR3 TSHR 521/4885CYP1A2 2647/4885CYP3A4 3438/4885

“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.