SCHEMBL1106949

SCHEMBL1106949

Oc1ccccc1C1=CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.61
SIGMAR1 Q99720 2/20 0.58
QDPR P09417 3/20 0.55
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
DRD2 P14416 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 1/20 0.43
HTR2A P28223 1/20 0.43
HTT P42858 1/20 0.43
RAD52 P43351 1/20 0.43
HTR6 P50406 1/20 0.43
KHK P50053 1/20 0.42

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
SCHEMBL18038662 0.80 PBRM1 (0.55) HTR2CSIGMAR1QDPR
Hydrochloric Acid SCHEMBL18038789 0.80 PBRM1 (0.55) HTR2CSIGMAR1QDPR
Hydrochloric Acid SCHEMBL3690362 0.78 HTR2C (0.61) HTR2CSIGMAR1QDPRKDM4EALDH1A1
SCHEMBL3434585 0.78 HTR2C (0.61) HTR2CSIGMAR1QDPRKDM4EALDH1A1
SCHEMBL2269949 0.78 HTR2C (0.61) HTR2CSIGMAR1QDPRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL9530706 0.78 HTR2C (0.61) HTR2CSIGMAR1QDPRKDM4EALDH1A1
SCHEMBL1366798 0.78 HTR2C (0.61) HTR2CSIGMAR1QDPRKDM4EALDH1A1
SCHEMBL4790160 0.78 HTR2C (0.61) HTR2CSIGMAR1QDPRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL21359253 0.78 HTR2C (0.61) HTR2CSIGMAR1QDPRKDM4EALDH1A1
SCHEMBL4790197 0.78 HTR2C (0.61) HTR2CSIGMAR1QDPRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10195196-B2 1,4-disubstituted pyridazine analogs there of and methods for treating SMN-deficiency-related conditions NOVARTIS AG (CH) 2019-02-05 US disclosed
US-20170290828-A1 1,4-DISUBSTITUTED PYRIDAZINE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2017-10-12 US disclosed
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 US disclosed
US-8153793-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-04-10 US disclosed
EP-2407453-A1 PGD2 receptor antagonist Shionogi & Co., Ltd. (JP) 2012-01-18 EP disclosed
EP-2407459-A1 Synthetic intermediate in the production of a sulfonamide derivative having PGD2 receptor antagonistic activity Shionogi & Co., Ltd. (JP) 2012-01-18 EP disclosed
EP-1939175-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi&Co., Ltd. (JP) 2008-07-02 EP 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-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 HTR2C 177/4885SIGMAR1 133/4885QDPR 126/4885
US-20170290828-A1 1,4-DISUBSTITUTED PYRIDAZINE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS SMN1; SMN2, CLN6, SF3B5 HTR2C 2601/4885SIGMAR1 3220/4885QDPR 1233/4885
US-10195196-B2 1,4-disubstituted pyridazine analogs there of and methods for treating SMN-deficiency-related conditions SMN1; SMN2, CLN6, SF3B5 HTR2C 2601/4885SIGMAR1 3220/4885QDPR 1233/4885

“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.