SCHEMBL6917541

SCHEMBL6917541

CN1CCN(c2ccc(OC#N)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.53
▸ GAA P10253 4/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ PTK2B Q14289 2/20 0.53
▸ ADRA2C P18825 1/20 0.53
▸ GFER P55789 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ESR2 Q92731 1/20 0.53
▸ HTR3A P46098 1/20 0.47
▸ SIRT6 Q8N6T7 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ NCF1 P14598 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ CHKA P35790 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43

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
SCHEMBL24113933 0.85 ADRB1 (0.48) MAPTGAAALDH1A1KDM4EGFER
SCHEMBL12634627 0.80 CHEK1 (0.58) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL424503 0.79 DRD2 (0.66) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL151261 0.77 CHEK1 (0.68) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL5210507 0.76 GAA (0.55) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL12929952 0.74 ALDH1A1 (0.53) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL3597710 0.74 MAPT (0.53) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL8363117 0.74 KMT2A (0.66) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL666629 0.74 MAPT (0.63) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL5210514 0.73 GAA (0.52) MAPTGAAALDH1A1KDM4EPTK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 — — US disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 — — US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 — — US disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 — — 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 (3 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-20160264596-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R MAPT 387/4885GAA 295/4885ALDH1A1 440/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R MAPT 387/4885GAA 295/4885ALDH1A1 440/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R MAPT 387/4885GAA 295/4885ALDH1A1 440/4885

“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.

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