Sugi Predict

Sugi Predict / Compounds / SCHEMBL4716706

SCHEMBL4716706

SCHEMBL4716706

O=C1Cc2cc(Cl)ccc2N1C1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.56
▸ HTR2C P28335 6/20 0.50
▸ HTR2B P41595 4/20 0.50
▸ CTSS P25774 1/20 0.46
▸ HTR2A P28223 5/20 0.43
▸ OPRM1 P35372 4/20 0.41
▸ OPRK1 P41145 4/20 0.41
▸ OPRL1 P41146 4/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SRD5A1 P18405 3/20 0.39
▸ CTSC P53634 1/20 0.38

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
SCHEMBL4713862 0.87 NOTUM (0.62) NOTUMHTR2CHTR2BHTR2AOPRM1
SCHEMBL4714893 0.84 HTR2C (0.49) NOTUMHTR2CHTR2BCTSSHTR2A
SCHEMBL10063156 0.83 OPRM1 (0.40) NOTUMOPRM1OPRK1OPRL1CTSC
SCHEMBL11927508 0.83 NOTUM (0.56) NOTUMCTSSOPRM1OPRK1OPRL1
SCHEMBL3379474 0.80 HTR2C (0.47) NOTUMHTR2CHTR2B
SCHEMBL25899805 0.79 NOTUM (0.55) NOTUMCTSSOPRM1OPRK1OPRL1
SCHEMBL26021786 0.79 NOTUM (0.58) NOTUMCTSSOPRM1OPRK1OPRL1
SCHEMBL29809539 0.79 OPRM1 (0.61) OPRM1OPRK1OPRL1
SCHEMBL828730 0.79 OPRM1 (0.61) OPRM1OPRK1OPRL1
SCHEMBL4446012 0.79 SMYD3 (0.41) OPRM1OPRK1OPRL1CTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001332-B Piperidine derivatives 豪夫迈·罗氏有限公司 2020-05-15 — — CN disclosed
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-10-10 — — US disclosed
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2019-10-10 — — US disclosed
EP-3227282-B1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-03 — — EP disclosed
EP-3227282-B1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-04-03 — — EP disclosed
US-10172843-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-01-08 — — US disclosed
US-10172843-B2 Piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2019-01-08 — — US disclosed
EP-3227282-A1 NOVEL PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-10-11 — — EP disclosed
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 — — US disclosed
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-09-21 — — US disclosed
US-20050101587-A9 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICALS, INC. 2005-05-12 — — US disclosed
CN-1473043-A A method for treating allergy by using substituted pyrazole ����-������ҩƷ��˾ 2004-02-04 — — CN disclosed
US-6583155-B2 Administering 2-(1-(3-(5-Acetyl-3-(4-chloro-phenyl)-4,5,6,7-tetrahydro-pyrazolo-(4,3 -c)pyridin-1-yl)-2-hydroxy-propyl)-piperidin-4-ylamino)-benzonitrile for inhibiting cathepsins; for treating atopic diseases ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-24 — — US disclosed
EP-1315490-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-04 — — EP disclosed
EP-1309593-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 — — EP disclosed
US-20030078419-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-04-24 — — US disclosed
US-20020115656-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-08-22 — — US disclosed
US-20020055497-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-05-09 — — US disclosed
WO-2002020011-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 — — WO disclosed
WO-2002014315-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 — — 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 (7 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-20030078419-A1 Substituted pyrazoles CTSS, CTSZ, CTSV NOTUM 1380/4885HTR2C 3881/4885HTR2B 3568/4885
US-20190307737-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B NOTUM 2990/4885HTR2C 129/4885HTR2B 229/4885
US-20170266175-A1 NOVEL PIPERIDINE DERIVATIVES ADORA1, ADRA1D, ADORA2B NOTUM 2990/4885HTR2C 129/4885HTR2B 229/4885
US-20020115656-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 NOTUM 539/4885HTR2C 970/4885HTR2B 904/4885
US-20050101587-A9 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 NOTUM 539/4885HTR2C 970/4885HTR2B 904/4885
US-20020055497-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 NOTUM 539/4885HTR2C 970/4885HTR2B 904/4885
US-10172843-B2 Piperidine derivatives ADRA1D, ADORA1, ADRA1A NOTUM 2826/4885HTR2C 216/4885HTR2B 327/4885

“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.