SCHEMBL12937814

SCHEMBL12937814

NCCc1cc[nH]c(=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
TAAR1 Q96RJ0 10/20 0.41
DRD2 P14416 3/20 0.41
DRD1 P21728 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ADRA2A P08913 2/20 0.41
MAPT P10636 2/20 0.41
DRD4 P21917 2/20 0.41
DRD5 P21918 2/20 0.41
SLC6A2 P23975 2/20 0.41
MAPK1 P28482 2/20 0.41
DRD3 P35462 2/20 0.41
RECQL P46063 2/20 0.41
SLC6A3 Q01959 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PNMT P11086 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41

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 SCHEMBL29707281 0.98 DRD2 (0.42) GPR84TAAR1DRD2DRD1KDM4E
Bromide SCHEMBL12803089 0.98 GPR84 (0.42) GPR84TAAR1DRD2DRD1KDM4E
SCHEMBL21591571 0.88 GPR84 (0.41) GPR84CYP2D6NSD2ABL1PPARG
SCHEMBL2595424 0.83
Hydrochloric Acid SCHEMBL3568937 0.81 GAA (0.46) GPR84KDM4EMAPTPNMTNSD2
SCHEMBL14466739 0.80 NOTUM (0.55) TAAR1NOTUM
SCHEMBL28018144 0.79 GPR84 (0.43) GPR84TDP1TP53NSD2ABL1
SCHEMBL13660763 0.79 GPR84 (0.43) GPR84NSD2ABL1PPARGRIN1
SCHEMBL9496925 0.79 GPR84 (0.47) GPR84NSD2ABL1PPARGRIN1
Hydrochloric Acid SCHEMBL14353023 0.78 NOTUM (0.53) TAAR1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025067168-A1 AZA FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2025-04-03 WO disclosed
US-12215173-B2 Kappa opioid receptor peptide amide ligands HUMANWELL PHARMACEUTICAL US, Inc. (US) 2025-02-04 US disclosed
CN-114615976-A Kappa opioid receptor peptide amide agonists 人福医药美国公司 2022-06-10 CN disclosed
CN-104024261-B Imidazopyridazine compounds HOFFMAN-LA ROCHE LTD. (CH) 2016-11-30 CN disclosed
EP-2691399-B1 THIAZOLOPYRIMIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
CN-103443107-B Thiazolopyrimidine compound F. HOFFMANN-LA ROCHE AG (CH) 2016-04-20 CN disclosed
US-9169259-B2 Imidazopyridazine compounds HOFFMANN-LA ROCHE INC. (US) 2015-10-27 US disclosed
US-9169259-B2 Imidazopyridazine compounds HOFFMANN-LA ROCHE INC. (US) 2015-10-27 US disclosed
US-8921383-B2 Thiazolopyrimidine compounds HOFFMANN-LA ROCHE INC. (US) 2014-12-30 US disclosed
US-8921383-B2 Thiazolopyrimidine compounds HOFFMANN-LA ROCHE INC. (US) 2014-12-30 US disclosed
EP-2773645-A1 IMIDAZOPYRIDAZINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 EP disclosed
CN-104024261-A Imidazopyridazine compounds HOFFMANN LA ROCHE 2014-09-03 CN disclosed
CN-103443107-A Thiazolopyrimidine compounds HOFFMANN LA ROCHE 2013-12-11 CN disclosed
WO-2013064445-A1 IMIDAZOPYRIDAZINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-05-10 WO disclosed
US-20130109661-A1 IMIDAZOPYRIDAZINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US disclosed
US-20130109661-A1 IMIDAZOPYRIDAZINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-05-02 US disclosed
WO-2012130780-A1 THIAZOLOPYRIMIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-04 WO disclosed
US-20120252777-A1 THIAZOLOPYRIMIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-10-04 US disclosed
US-20120252777-A1 THIAZOLOPYRIMIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-10-04 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-20120252777-A1 THIAZOLOPYRIMIDINE COMPOUNDS SYK, BTK, ZAP70 GPR84 1898/4885TAAR1 2457/4885DRD2 4163/4885
US-12215173-B2 Kappa opioid receptor peptide amide ligands OPRK1, OPRL1, OPRD1 GPR84 27/4885TAAR1 157/4885DRD2 727/4885
US-20130109661-A1 IMIDAZOPYRIDAZINE COMPOUNDS SYK, BTK, IRAK4 GPR84 1268/4885TAAR1 2785/4885DRD2 3816/4885

“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.