SCHEMBL23123589

SCHEMBL23123589

CN1CCC(c2cc3[nH]cnc3cc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ HTR1D P28221 6/20 0.39
▸ HTR1B P28222 4/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ HTR1F P30939 6/20 0.39
▸ HTR1A P08908 3/20 0.38
▸ DRD4 P21917 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL23122792 0.74 QDPR (0.49) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
SCHEMBL18015289 0.73 CHRNB2 (0.69) MAPTCHRNB2CHRNA4CYP3A4CHRM5
SCHEMBL29860001 0.69 KDM4E (0.44) MAPTCHRNB2CHRNA4KDM4EALDH1A1
SCHEMBL29745111 0.69 HTR1D (0.43) MAPTHTR1DHTR1BCYP1A2CYP3A4
SCHEMBL23123677 0.69 HTR1D (0.43) MAPTHTR1DHTR1BCYP1A2CYP3A4
SCHEMBL352396 0.69 MAPT (0.70) MAPTCHRNB2CHRNA4CYP3A4KDM4E
SCHEMBL23122554 0.69 HTR1F (0.49) HTR1DHTR1BHTR1FHTR1AKDM4E
SCHEMBL23122605 0.68 HTR1F (0.46) HTR1DHTR1BCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL22748994 0.68 MAPT (0.68) MAPTCHRNB2CHRNA4CYP3A4KDM4E
SCHEMBL23122421 0.67 KCNH2 (0.40) HTR1DHTR1BCYP1A2CYP3A4CYP2D6

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-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 — — US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 — — EP disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 — — CN disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 — — 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 (1 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-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 MAPT 483/4885CHRNB2 3506/4885CHRNA4 3133/4885

“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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