SCHEMBL23768880

SCHEMBL23768880

Cc1cc(N2CC3CC3C2)ncc1C=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BTK Q06187 4/20 0.35
CHRM4 P08173 1/20 0.34
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMPD3 Q9NY59 2/20 0.32
OPRK1 P41145 2/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNB4 P30926 2/20 0.31
CHRNA3 P32297 2/20 0.31
CHRNA4 P43681 2/20 0.31
KCNJ1 P48048 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL23769280 0.82 TDP1 (0.33) SMPD3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25262279 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1PKMRAB9A
SCHEMBL22919151 0.80 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CYP1A2MAPTCYP2C9
SCHEMBL29483787 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1PKMRAB9A
SCHEMBL18795060 0.73 BTK (0.41) ALDH1A1BTKCHRM4SMPD3CHRNB2
SCHEMBL18794995 0.73 BTK (0.39) ALDH1A1BTKCHRM4CYP1A2MAPT
SCHEMBL30983925 0.72 SMO (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL21712992 0.72 SMPD3 (0.39) SMPD3
SCHEMBL23769160 0.70 KCNJ1 (0.46) ALDH1A1BTKSMPD3KCNJ1
SCHEMBL23769354 0.68 KLKB1 (0.41) ALDH1A1OPRK1CHRNB2CHRNB4CHRNA3

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-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-23 US disclosed
WO-2021160718-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-08-19 WO 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 (2 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-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ALDH1A1 1223/4885SMN1; SMN2 4693/4885BTK 1516/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 ALDH1A1 1223/4885SMN1; SMN2 4693/4885BTK 1516/4885

“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.