SCHEMBL2890195

SCHEMBL2890195

CC1(CO)CCCN(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.43
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 4/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C19 P33261 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 2/20 0.33
MCHR1 Q99705 1/20 0.33
HSD11B1 P28845 1/20 0.33
EPHX2 P34913 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL26987866 1.00 VNN1 (0.43) VNN1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20484883 0.88 VNN1 (0.35) VNN1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21682777 0.87 VNN1 (0.43) VNN1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21359037 0.85 VNN1 (0.34) VNN1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15716997 0.82 USP2 (0.36) VNN1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13223517 0.82 VNN1 (0.40) VNN1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21834363 0.81 EPHX1 (0.37) SMN1; SMN2ALDH1A1
SCHEMBL26988027 0.81 VNN1 (0.33) VNN1CYP3A4KMT2ACYP2D6EPHX2
SCHEMBL26989271 0.81 VNN1 (0.33) VNN1CYP3A4KMT2ACYP2D6EPHX2
SCHEMBL18598805 0.80 VNN1 (0.39) VNN1NPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024009191-A1 PYRIDO[4,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2024-01-11 WO disclosed
WO-2023116779-A1 DIALKYNE COMPOUND AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-06-29 WO disclosed
EP-2920183-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS Glaxosmithkline LLC (US) 2015-09-23 EP disclosed
EP-2261210-B1 3-SUBSTITUTED SULFONYL PIPERAZINE DERIVATIVE MSD KK (JP) 2014-10-22 EP disclosed
WO-2014078257-A1 THIENO[3,2-C]PYRIDIN-4(5H)-ONES AS BET INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-05-22 WO disclosed
US-8367698-B2 3-substituted sulfonyl piperidine derivative MSD K.K. (JP) 2013-02-05 US disclosed
US-20120232109-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE NAGASE TSUYOSHI (JP) 2012-09-13 US disclosed
US-8188280-B2 3-substituted sulfonyl piperidine derivative MSD K.K. (JP) 2012-05-29 US disclosed
US-20100331360-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE MSD K.K. (JP) 2010-12-30 US disclosed
EP-2261210-A1 3-SUBSTITUTED SULFONYL PIPERAZINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-15 EP disclosed
US-7435743-B2 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2008-10-14 US disclosed
US-20060205676-A1 Pyridine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2006-09-14 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-20060205676-A1 Pyridine derivatives CBR3, ARG1, HRH3 VNN1 4687/4885NPC1 3613/4885RAB9A 965/4885
US-20100331360-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE H1-3, H1-0, H1-2 VNN1 4602/4885NPC1 129/4885RAB9A 1472/4885
US-20120232109-A1 3-SUBSTITUTED SULFONYL PIPERIDINE DERIVATIVE H1-3, H1-0, H1-2 VNN1 4602/4885NPC1 129/4885RAB9A 1472/4885

“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.