SCHEMBL18790715

SCHEMBL18790715

Clc1cnnc(N2CCNCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 5/20 0.53
▸ CHRNA4 P43681 5/20 0.53
▸ BPTF Q12830 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ HTR1A P08908 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ HTR2A P28223 2/20 0.49
▸ HTR2C P28335 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ HTR3E A5X5Y0 4/20 0.47
▸ HTR3B O95264 4/20 0.47
▸ HTR3A P46098 4/20 0.47
▸ HTR3D Q70Z44 4/20 0.47

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
SCHEMBL8722753 0.76 TRPV1 (0.34) CHRNB2CHRNA4MEN1KMT2AHRH4
SCHEMBL31061384 0.75 ADRB1 (0.59) BPTFALDH1A1CYP1A2CYP3A4HTR1A
SCHEMBL4426193 0.75 ADRB1 (0.59) BPTFALDH1A1CYP1A2CYP3A4HTR1A
SCHEMBL14982162 0.75 ADRB1 (0.51) CHRNB2CHRNA4HTR1AHTR2AHTR2C
SCHEMBL1025795 0.73 HTR3E (0.59) CHRNB2CHRNA4BPTFALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL31536994 0.71 HTR3E (0.57) CHRNB2CHRNA4BPTFALDH1A1CYP1A2
SCHEMBL21582695 0.71 CHRNB2 (0.57) CHRNB2CHRNA4BPTFALDH1A1CYP1A2
SCHEMBL1026310 0.71 ADRB1 (0.59) BPTFALDH1A1CYP1A2CYP3A4HTR1A
SCHEMBL29937735 0.71 ADRB1 (0.59) BPTFALDH1A1CYP1A2CYP3A4HTR1A
SCHEMBL8339191 0.70 BPTF (0.53) CHRNB2CHRNA4BPTFALDH1A1CYP1A2

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
WO-2025054132-A1 ANTIBACTERIAL COMPOUNDS ARREPATH, INC. (US) 2025-03-13 — — WO disclosed
EP-3381904-B1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-07-28 — — EP disclosed
US-10717731-B2 Nitrogen-containing aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-07-21 — — US disclosed
WO-2017069226-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 2017-04-27 — — 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-10717731-B2 Nitrogen-containing aromatic heterocyclic compound REN, NR3C2, NR5A1 CHRNB2 3416/4885CHRNA4 3918/4885BPTF 1759/4885

“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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