SCHEMBL224986

SCHEMBL224986

CC(=O)N1CCC(C(=O)c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
MGLL Q99685 7/20 0.48
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DPP4 P27487 1/20 0.45
P2RX7 Q99572 1/20 0.45
NOTUM Q6P988 1/20 0.45
SLC6A3 Q01959 1/20 0.44
EPHX2 P34913 1/20 0.44

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
SCHEMBL230073 0.89 MGLL (0.53) MGLLALDH1A1KMT2AHTTNPSR1
SCHEMBL10395236 0.86 CPS1 (0.55) HSD11B1MGLLMEN1ALDH1A1KMT2A
SCHEMBL229876 0.86 HSD11B1 (0.65) HSD11B1MGLLMEN1ALDH1A1KMT2A
SCHEMBL4496800 0.84 MGLL (0.51) MGLL
SCHEMBL606329 0.84 MEN1 (0.47) MEN1ALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL606330 0.84 MEN1 (0.47) MEN1ALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL6141378 0.83 TSHR (0.57) MEN1ALDH1A1KMT2ASMN1; SMN2P2RX7
SCHEMBL5705838 0.82 STS (0.58) MEN1KMT2ANPSR1
SCHEMBL23215765 0.81 HSP90AA1 (0.55) HSD11B1MGLL
SCHEMBL29745285 0.81 HSP90AA1 (0.55) HSD11B1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4408053-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-10-04 US claimed
US-20140350051-A1 Dual Modulators Of 5HT2A and D3 Receptors HOFFMAN-LA ROCHE INC. 2014-11-27 US disclosed
US-8829029-B2 Dual modulators of 5HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2014-09-09 US disclosed
EP-2183245-B1 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2014-07-09 EP disclosed
US-20130165432-A1 Dual Modulators of 5HT2A and D3 Receptors HOFFMANN-LA ROCHE INC. (US) 2013-06-27 US disclosed
US-8415350-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2013-04-09 US disclosed
US-20120040972-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-02-16 US disclosed
US-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-01-05 US disclosed
US-8039490-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2011-10-18 US disclosed
EP-2183245-A2 DUAL MODULATORS OF 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-4775761-A TREATING PSYCHOSES, DEPRESSION, CONVULSIONS AND HYPERTENSION HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-10-04 US disclosed
US-4758668-A 3-(piperidinyl)- and 3-(pyrrolidinyl)-1H-indazoles HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-07-19 US disclosed
US-4710573-A PSYCHOLOGICAL DISORDERS HOECHST ROUSSEL PHARMACEUTICALS, INC. (US) 1987-12-01 US disclosed
US-4670447-A ANALGESICS, ANTIDEPRESSANTS, ANTICONVULSANTS AND HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-06-02 US disclosed
US-4528376-A 3-(4-Piperidyl)-1,2-benzisoxazoles HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-07-09 US disclosed
US-4469869-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1984-09-04 US disclosed
US-4408053-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-10-04 US disclosed
US-4408054-A ANALGESTICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-10-04 US disclosed
EP-0080104-A2 3-(4-Piperidyl)-1,2-benzisoxazoles, process for the preparation thereof, and a pharmaceutical composition comprising the same HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-06-01 EP disclosed
US-4355037-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS (US) 1982-10-19 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 (4 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-20130165432-A1 Dual Modulators of 5HT2A and D3 Receptors HTR2A, HTR3A, HTR1A HSD11B1 1368/4885MGLL 4368/4885MEN1 3327/4885
US-20120004208-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR2C HSD11B1 4592/4885MGLL 4338/4885MEN1 3878/4885
US-20140350051-A1 Dual Modulators Of 5HT2A and D3 Receptors HTR2A, HTR3A, HTR1A HSD11B1 1368/4885MGLL 4368/4885MEN1 3327/4885
US-20120040972-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR1A HSD11B1 1368/4885MGLL 4368/4885MEN1 3327/4885

“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.