SCHEMBL21712931

SCHEMBL21712931

Cc1nc(N2CC3(CC3)C2)ccc1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 7/20 0.40
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 5/20 0.34
HPGD P15428 4/20 0.34
CYP2D6 P10635 3/20 0.34
TSHR P16473 2/20 0.34
HIF1A Q16665 2/20 0.34
NR1H2 P55055 1/20 0.33
USP2 O75604 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNJ1 P48048 2/20 0.32
CYP1A2 P05177 1/20 0.32
SORD Q00796 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP3A4 P08684 1/20 0.32
TRPV3 Q8NET8 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 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
SCHEMBL31033204 1.00 KLKB1 (0.40) KLKB1ALDH1A1HSD17B10HPGDCYP2D6
SCHEMBL23469589 0.90 KLKB1 (0.41) KLKB1ALDH1A1HSD17B10HPGDCYP2D6
SCHEMBL31357730 0.82 TRPV3 (0.34) KLKB1ALDH1A1HSD17B10HPGDCYP2D6
SCHEMBL23754040 0.82 TRPV3 (0.34) KLKB1ALDH1A1HSD17B10HPGDCYP2D6
SCHEMBL23769138 0.81 ALDH1A1 (0.32) KLKB1ALDH1A1HSD17B10HPGDCYP2D6
SCHEMBL23753976 0.81 ALDH1A1 (0.32) KLKB1ALDH1A1HSD17B10HPGDCYP2D6
SCHEMBL29976161 0.81 ALDH1A1 (0.32) KLKB1ALDH1A1HSD17B10HPGDCYP2D6
SCHEMBL26969925 0.79 SORD (0.41) KLKB1ALDH1A1HPGDNR1H2SORD
SCHEMBL21713012 0.77 NR1H2 (0.50) KLKB1ALDH1A1HSD17B10HPGDCYP2D6
SCHEMBL23843145 0.76 KLKB1 (0.35) KLKB1ALDH1A1NR1H2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3837252-B1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2025-12-10 EP disclosed
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
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US disclosed
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US disclosed
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-02-20 US disclosed
WO-2020035540-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-20 WO disclosed
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-02-20 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-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 KLKB1 1/4885ALDH1A1 1223/4885HSD17B10 725/4885
US-20200054617-A1 Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885ALDH1A1 1415/4885HSD17B10 752/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KLKB1 1/4885ALDH1A1 1223/4885HSD17B10 725/4885
US-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KLKB1 1/4885ALDH1A1 1415/4885HSD17B10 752/4885

“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.