SCHEMBL21114636

SCHEMBL21114636

O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCc2cc([C@@H]3C[C@H]3NCC3CCNCC3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 19/20 1.00
KDM1B Q8NB78 19/20 1.00
MAOB P27338 7/20 1.00
KCNH2 Q12809 1/20 0.90
MAOA P21397 8/20 0.80
HTR6 P50406 1/20 0.59

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
SCHEMBL19725480 1.00 KDM1A (1.00) KDM1AKDM1BMAOBKCNH2MAOA
SCHEMBL19725476 0.95 KDM1A (1.00) KDM1AKDM1BMAOBKCNH2MAOA
SCHEMBL21114595 0.90 KDM1A (0.90) KDM1AKDM1BMAOBKCNH2MAOA
SCHEMBL21156167 0.90 KDM1A (0.83) KDM1AKDM1BMAOBKCNH2MAOA
SCHEMBL19725432 0.90 KDM1A (0.90) KDM1AKDM1BMAOBKCNH2MAOA
SCHEMBL21114660 0.89 KDM1A (1.00) KDM1AKDM1BMAOBKCNH2MAOA
SCHEMBL19725543 0.89 KDM1A (1.00) KDM1AKDM1BMAOBKCNH2MAOA
SCHEMBL29682947 0.87 KDM1A (0.83) KDM1AKDM1BMAOBKCNH2MAOA
SCHEMBL19725539 0.87 KDM1A (0.83) KDM1AKDM1BMAOBKCNH2MAOA
SCHEMBL21114557 0.87 KDM1A (0.83) KDM1AKDM1BMAOBKCNH2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873292-B2 Trans-indoline cyclopropylamine chemical compound, and method for preparation, pharmaceutical composition, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-01-16 US claimed
US-20190210998-A1 TRANS-INDOLINE CYCLOPROPYLAMINE CHEMICAL COMPOUND, AND METHOD FOR PREPARATION, PHARMACEUTICAL COMPOSITION, AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-07-11 US claimed
US-11873292-B2 Trans-indoline cyclopropylamine chemical compound, and method for preparation, pharmaceutical composition, and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2024-01-16 US disclosed
CN-107459476-B Anti-indoline cyclopropylamine compound and preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-06-24 CN disclosed
US-20190210998-A1 TRANS-INDOLINE CYCLOPROPYLAMINE CHEMICAL COMPOUND, AND METHOD FOR PREPARATION, PHARMACEUTICAL COMPOSITION, AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-07-11 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 (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-20190210998-A1 TRANS-INDOLINE CYCLOPROPYLAMINE CHEMICAL COMPOUND, AND METHOD FOR PREPARATION, PHARMACEUTICAL COMPOSITION, AND USE THEREOF INMT, IDO1, TPH1 KDM1A 5/4885KDM1B 10/4885MAOB 143/4885
US-11873292-B2 Trans-indoline cyclopropylamine chemical compound, and method for preparation, pharmaceutical composition, and use thereof INMT, IDO1, TPH1 KDM1A 5/4885KDM1B 10/4885MAOB 143/4885

“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.