SCHEMBL8735354

SCHEMBL8735354

NCC1CCCN(CC(=O)c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
KCNH2 Q12809 1/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 1/20 0.45
CHRM3 P20309 1/20 0.44
GFER P55789 1/20 0.44
LMNA P02545 2/20 0.44
AGTR1 P30556 1/20 0.44
CYP2D6 P10635 1/20 0.42
GAA P10253 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL12790929 0.83 ALDH1A1 (0.50) ALDH1A1HTR2AHTR2CKCNH2KMT2A
SCHEMBL5308776 0.82 ALDH1A1 (0.56) ALDH1A1HTR2AHTR2CKCNH2CHRM3
SCHEMBL27406305 0.81 ALDH1A1 (0.59) ALDH1A1HTR2AHTR2CKCNH2KMT2A
SCHEMBL8247021 0.81 KMT2A (0.62) ALDH1A1KMT2AMEN1LMNACYP2D6
SCHEMBL12424743 0.80 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1LMNAAGTR1
SCHEMBL25674596 0.80 ALDH1A1 (0.47) ALDH1A1HTR2AHTR2CKCNH2KMT2A
SCHEMBL12384542 0.77 ALDH1A1 (0.47) ALDH1A1HTR2AHTR2CKCNH2KMT2A
SCHEMBL9381303 0.77 ALDH1A1 (0.69) ALDH1A1KMT2ACHRM3GFERCYP2D6
SCHEMBL3443765 0.75 GRIN2B (0.55) ALDH1A1LMNAAGTR1
SCHEMBL3443762 0.75 GRIN2B (0.55) ALDH1A1LMNAAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES ALEXION PHARMACEUTICALS, INC. 2018-07-05 US disclosed
US-9868729-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2018-01-16 US disclosed
US-20150094298-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2015-04-02 US disclosed
US-8937070-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2015-01-20 US disclosed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-20140031361-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. 2014-01-30 US disclosed
US-8501944-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-08-06 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20120129867-A1 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 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 (6 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-20120129867-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 ALDH1A1 4344/4885HTR2A 2258/4885HTR2C 1627/4885
US-20130137673-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 ALDH1A1 2512/4885HTR2A 3796/4885HTR2C 2274/4885
US-20180186783-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 ALDH1A1 4344/4885HTR2A 2258/4885HTR2C 1627/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 ALDH1A1 2512/4885HTR2A 3796/4885HTR2C 2274/4885
US-20140031361-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 ALDH1A1 4344/4885HTR2A 2258/4885HTR2C 1627/4885
US-20150094298-A1 INHIBITORS OF PROTEIN KINASES SYK, BTK, JAK1 ALDH1A1 4344/4885HTR2A 2258/4885HTR2C 1627/4885

“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.