SCHEMBL642920

SCHEMBL642920

CC(=O)N1CCC(Nc2ccccc2Br)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
CHRM4 P08173 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
HRH1 P35367 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
HTR3A P46098 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
MAPT P10636 2/20 0.48
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL30271400 1.00 NSD2 (0.49) NSD2HTR3EHTR3BCHRM4CHRM5
SCHEMBL2637134 0.85 SIGMAR1 (0.46) NSD2HTR3EHTR3BCHRM4CHRM5
SCHEMBL30352893 0.84 EPHX2 (0.55) NSD2MAPTJAK1BRD4JAK2
SCHEMBL2636569 0.83 SMN1; SMN2 (0.49) HTR3EHTR3BCHRM4CHRM5CHRNB2
SCHEMBL9965472 0.82 NSD2 (0.49) NSD2MAPTJAK1BRD4JAK2
SCHEMBL16407626 0.82 MAPT (0.55) NSD2MAPTJAK1BRD4JAK2
SCHEMBL2636571 0.82 LMNA (0.45) HTR3EHTR3BCHRM4CHRM5CHRNB2
SCHEMBL69769 0.81 ALDH1A1 (0.58) MAPTBRD4NOS2
SCHEMBL25011533 0.80 NSD2 (0.50) NSD2MAPTJAK1BRD4JAK2
SCHEMBL9965473 0.80 TSHR (0.54) NSD2MAPTJAK1BRD4CYP3A4

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
CN-118043041-A LPAR1 antagonists and uses thereof 康蒂内乌姆医疗公司 2024-05-14 CN disclosed
WO-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 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 (1 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 NSD2 1019/4885HTR3E 453/4885HTR3B 347/4885

“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.