SCHEMBL30556652

SCHEMBL30556652

Cc1ccnc(N2CCCC3(CC3)C2)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 12/20 0.52
▸ HSD17B10 Q99714 12/20 0.52
▸ CYP1A2 P05177 8/20 0.52
▸ ALDH1A1 P00352 8/20 0.52
▸ ALOX15 P16050 1/20 0.50
▸ CYP2C19 P33261 6/20 0.46
▸ CYP2C9 P11712 5/20 0.46
▸ CYP3A4 P08684 5/20 0.46
▸ TSHR P16473 4/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ USP2 O75604 2/20 0.45
▸ HPGD P15428 4/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SORD Q00796 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL30556651 0.91 SORD (0.45) CYP2D6HSD17B10CYP1A2ALDH1A1ALOX15
SCHEMBL26201769 0.89 CYP2D6 (0.51) CYP2D6HSD17B10CYP1A2ALDH1A1ALOX15
SCHEMBL30556699 0.86 HSD17B10 (0.44) CYP2D6HSD17B10CYP1A2ALDH1A1ALOX15
SCHEMBL30556663 0.85 ALDH1A1 (0.46) CYP2D6HSD17B10CYP1A2ALDH1A1CYP2C19
SCHEMBL30637363 0.84 SORD (0.45) CYP2D6HSD17B10CYP1A2ALDH1A1TSHR
SCHEMBL26047171 0.80 SORD (0.40) CYP2D6HSD17B10CYP1A2ALDH1A1TSHR
SCHEMBL7904079 0.80 SORD (0.55) HSD17B10ALDH1A1TSHRHPGDSORD
SCHEMBL18228454 0.80 SORD (0.55) HSD17B10ALDH1A1TSHRHPGDSORD
SCHEMBL13806030 0.80 SORD (0.55) HSD17B10ALDH1A1TSHRHPGDSORD
SCHEMBL26047096 0.79 DYRK1A (0.47) CYP2D6HSD17B10CYP1A2ALDH1A1CYP3A4

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-12479827-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2025-11-25 — — US disclosed
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-03-07 — — US disclosed
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-01-04 — — US disclosed
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 — — 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-12479827-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 CYP2D6 723/4885HSD17B10 725/4885CYP1A2 370/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 CYP2D6 723/4885HSD17B10 725/4885CYP1A2 370/4885
US-20240002363-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 CYP2D6 723/4885HSD17B10 725/4885CYP1A2 370/4885
US-20240076286-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 CYP2D6 723/4885HSD17B10 725/4885CYP1A2 370/4885

“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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