SCHEMBL23769159

SCHEMBL23769159

O=Cc1ccc(N2CC3C(C2)C3(F)F)cn1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.43
CHRNB4 P30926 6/20 0.36
CHRNA3 P32297 6/20 0.36
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL23754183 0.80 KCNJ1 (0.46) KCNJ1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL17645818 0.75 KCNJ1 (0.45) KCNJ1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL2600020 0.74 TRIM24 (0.53) KCNJ1CHRNB2CHRNA4MAPT
SCHEMBL23769143 0.73 KCNJ1 (0.46) KCNJ1CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL23408618 0.73 ABL1 (0.45) KCNJ1MAPT
SCHEMBL23769146 0.73 HRH3 (0.40) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL23408619 0.73 ABL1 (0.45) KCNJ1MAPT
SCHEMBL12780921 0.72 ALDH1A1 (0.55) KCNJ1CHRNB2CHRNA4MAPTRAB9A
SCHEMBL23754172 0.72 NPC1 (0.35) RAB9A
SCHEMBL17645891 0.72 KCNJ1 (0.42) KCNJ1CHRNB4CHRNA3CHRNB2CHRNA4

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 KCNJ1 675/4885CHRNB4 3566/4885CHRNA3 3108/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 KCNJ1 675/4885CHRNB4 3566/4885CHRNA3 3108/4885

“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.