SCHEMBL3840980

SCHEMBL3840980

Cc1cc(CCN)ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.67
PNMT P11086 1/20 0.67
CYP1A2 P05177 1/20 0.50
CYP2A6 P11509 1/20 0.50
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
ADRB2 P07550 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
DRD2 P14416 1/20 0.45
ALOX15 P16050 1/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45

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
SCHEMBL17277454 0.86 PNMT (0.50) TAAR1PNMTGLASMN1; SMN2SIGMAR1
SCHEMBL17186331 0.83 TAAR1 (0.67) TAAR1PNMTCYP1A2CYP2A6GLA
SCHEMBL3128100 0.83 CSNK2A1 (0.47) TAAR1PNMTCYP2A6SMN1; SMN2
SCHEMBL12841593 0.81 SKP2 (0.46) TAAR1PNMTCYP1A2SIGMAR1ALDH1A1
SCHEMBL9889442 0.81 KDM4E (0.49) TAAR1PNMTCYP1A2CYP2A6SMN1; SMN2
SCHEMBL718078 0.80 TAAR1 (0.56) TAAR1PNMTCYP1A2CYP2A6KDM4E
SCHEMBL184185 0.80 TAAR1 (1.00) TAAR1PNMTCYP1A2GLASMN1; SMN2
SCHEMBL29434783 0.79 ALDH1A1 (0.47) TAAR1PNMTKDM4EALDH1A1TP53
SCHEMBL12333663 0.79 ALDH1A1 (0.47) TAAR1PNMTKDM4EALDH1A1TP53
SCHEMBL7458179 0.79 PNMT (0.41) TAAR1PNMTCYP1A2SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
US-11465989-B2 Guanidine compounds and use thereof ImmunoMet Therapeutics, Inc. (US) 2022-10-11 US disclosed
CN-111848494-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-10-30 CN disclosed
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2017-03-16 US disclosed
EP-3131877-A1 GUANIDINE COMPOUNDS AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-02-22 EP disclosed
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 CN disclosed
WO-2015160220-A1 GUANIDINE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-10-22 WO disclosed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 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-4806660-A ANTIALLERGENS PENNWALT CORPORATION (US) 1989-02-21 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 (4 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 173/4885PNMT 410/4885CYP1A2 2499/4885
US-11465989-B2 Guanidine compounds and use thereof PC, TFAM, PCK2 TAAR1 4576/4885PNMT 545/4885CYP1A2 1528/4885
US-20170073331-A1 GUANIDINE COMPOUNDS AND USE THEREOF PC, TFAM, PCK2 TAAR1 4576/4885PNMT 545/4885CYP1A2 1528/4885
US-20050124617-A1 2-Imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C TAAR1 99/4885PNMT 389/4885CYP1A2 817/4885

“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.