SCHEMBL4035870

SCHEMBL4035870

NCCCc1cccc(-c2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.57
AGXT P21549 1/20 0.53
HTR2A P28223 2/20 0.50
HTR6 P50406 2/20 0.50
HTR7 P34969 1/20 0.50
TAAR1 Q96RJ0 2/20 0.48
AOC3 Q16853 3/20 0.47
LOXL2 Q9Y4K0 2/20 0.46
CYP2A6 P11509 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR2C P28335 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAOB P27338 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL29706557 1.00 MAOA (0.57) MAOAAGXTHTR2AHTR6HTR7
SCHEMBL3229152 0.98 MAOA (0.55) MAOAAGXTHTR2AHTR6HTR7
SCHEMBL609715 0.96 MAOA (0.53) MAOAAGXTHTR2AHTR6HTR7
SCHEMBL15138999 0.92 MAOA (0.50) MAOAAGXTHTR2AHTR6HTR7
SCHEMBL172787 0.88 TAAR1 (0.62) AGXTHTR2AHTR6HTR7TAAR1
Hydrochloric Acid SCHEMBL27718613 0.86 HTR7 (0.61) AGXTHTR2AHTR6HTR7TAAR1
SCHEMBL10287586 0.85 PRKCI (0.59) MAOAHTR7LOXL2CYP2A6
SCHEMBL13958743 0.85 TAAR1 (0.50) MAOAAGXTHTR7TAAR1CYP2A6
SCHEMBL234830 0.85 MAOA (0.46) MAOAAGXTHTR2AHTR6AOC3
SCHEMBL3175127 0.84 HSD17B1 (0.47) MAOAHTR6HTR7CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2015089137-A1 ACYLGUANIDINES AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2015-06-18 WO disclosed
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO disclosed
EP-2010150-A2 STABLE EMULSION FORMULATIONS Amgen Inc. (US) 2009-01-07 EP disclosed
WO-2007124465-A2 STABLE EMULSION FORMULATIONS AMGEN INC. (US) 2007-11-01 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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT MAOA 49/4885AGXT 1594/4885HTR2A 150/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT MAOA 49/4885AGXT 1594/4885HTR2A 150/4885

“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.