SCHEMBL172787

SCHEMBL172787

NCCc1cccc(-c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.62
HTR2A P28223 2/20 0.62
CYP2A6 P11509 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
LOXL2 Q9Y4K0 1/20 0.62
HTR7 P34969 1/20 0.62
HTR6 P50406 2/20 0.58
HTR2C P28335 1/20 0.58
AGXT P21549 1/20 0.57
MAOB P27338 4/20 0.56
DRD2 P14416 1/20 0.55
DRD1 P21728 1/20 0.55
BACE1 P56817 1/20 0.55
AOC3 Q16853 1/20 0.50

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
Hydrochloric Acid SCHEMBL27718613 0.98 HTR7 (0.61) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL15244883 0.93 TAAR1 (0.63) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL29706557 0.88 MAOA (0.57) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL4035870 0.88 MAOA (0.57) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL3229152 0.86 MAOA (0.55) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL21540883 0.84 PRKCI (0.62) TAAR1LOXL2HTR7HTR6HTR2C
SCHEMBL18070223 0.84 TAAR1 (0.69) TAAR1HTR7HTR2CAGXTMAOB
SCHEMBL609715 0.84 MAOA (0.53) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
Hydrochloric Acid SCHEMBL5366344 0.83 TAAR1 (0.61) TAAR1HTR2AHTR7HTR6HTR2C
SCHEMBL29400616 0.82 TAAR1 (0.70) TAAR1LOXL2AGXTAOC3

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023202582-A1 GPCR REGULATOR AND USE THEREOF 北京昌平实验室 2023-10-26 WO disclosed
WO-2023149945-A1 PEPTIDOMIMETIC INHIBITORS OF PROTEIN N-TERMINAL METHYLTRANSFERASE 1, COMPOSITION, AND METHOD OF USE PURDUE RESEARCH FOUNDATION (US) 2023-08-10 WO disclosed
WO-2015089137-A1 ACYLGUANIDINES AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2015-06-18 WO disclosed
EP-1768966-B1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2012-03-07 EP disclosed
US-20110212080-A1 UREA DERIVATIVES AS ANTIBACTERIAL AGENTS MERCK SHARP & DOHME CORP. 2011-09-01 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 US disclosed
EP-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP disclosed
US-20050124617-A1 2-Imino-1,3-thiazine derivatives HANASAKI KOJI (JP) 2005-06-09 US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 EP disclosed
US-6818640-B1 BIND SELECTIVELY TO CANNABINOID 2 RECEPTOR; ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2004-11-16 US disclosed
CN-1514831-A Medicinal composition containing 1,3-thiazine derivative ��Ұ����ҩ��ʽ���� 2004-07-21 CN disclosed
US-20040116326-A1 Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO., LTD. (JP) 2004-06-17 US disclosed
EP-1375489-A1 MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2004-01-02 EP disclosed
CN-1387519-A 2-imino-1, 3-thiazine derivatives SHIONOGI & CO (JP) 2002-12-25 CN disclosed
EP-1219612-A1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 EP disclosed
US-6090852-A MATRIX METALLOPROTEASE INHIBITOR PFIZER INC (US) 2000-07-18 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 (3 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-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 TAAR1 173/4885HTR2A 206/4885CYP2A6 1120/4885
US-20110212080-A1 UREA DERIVATIVES AS ANTIBACTERIAL AGENTS SLC14A1, LPXN, UBXN1 TAAR1 4130/4885HTR2A 4804/4885CYP2A6 3355/4885
US-20050124617-A1 2-Imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C TAAR1 99/4885HTR2A 8/4885CYP2A6 1948/4885

“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.