SCHEMBL694010

SCHEMBL694010

Clc1ccc(C2CC[CH]CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.50
DRD2 P14416 1/20 0.48
LSS P48449 2/20 0.46
SLC18A3 Q16572 1/20 0.44
SRD5A1 P18405 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SLC2A1 P11166 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL9517403 0.88 HTR3A (0.48) HTR3ADRD2LSSSLC18A3SRD5A1
SCHEMBL9517400 0.88 HTR3A (0.48) HTR3ADRD2LSSSLC18A3SRD5A1
SCHEMBL9181742 0.87 HTR3A (0.44) HTR3ADRD2LSSSLC18A3SRD5A1
SCHEMBL9181738 0.87 HTR3A (0.44) HTR3ADRD2LSSSLC18A3SRD5A1
SCHEMBL315186 0.85 HTR3A (0.58) HTR3ADRD2LSSSLC18A3SRD5A1
SCHEMBL11315431 0.80 SRD5A1 (0.46) HTR3ADRD2LSSSLC18A3SRD5A1
SCHEMBL218475 0.80 HTR3A (0.59) HTR3ADRD2LSSSLC18A3SRD5A1
SCHEMBL435619 0.80 HTR3A (0.59) HTR3ADRD2LSSSLC18A3SRD5A1
SCHEMBL11315434 0.79 HTR3A (0.48) HTR3ADRD2LSSSLC18A3SRD5A1
SCHEMBL127746 0.78 HTR3A (0.57) HTR3ADRD2LSSSLC18A3SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2023-03-23 US claimed
WO-2021158575-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
WO-2021158573-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
CN-104628555-B A kind of synthetic method of pharmaceutical intermediate 4-(4-chlorphenyl) cyclohexyl-1-formic acid 烟台蓓丰医药科技有限公司 2016-11-30 CN claimed
CN-103772239-A Novel amide and amidine derivatives and uses thereof ABBVIE INC 2014-05-07 CN claimed
US-8697684-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-04-15 US claimed
US-20130280212-A1 INHIBITORS OF CYTOCHROME P450 GILEAD SCIENCES, INC (US) 2013-10-24 US claimed
US-20130237517-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-12 US claimed
US-8450303-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-28 US claimed
US-8426401-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV 2013-04-23 US claimed
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-08-10 US claimed
WO-2004081005-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO claimed
EP-0580185-B1 New Naphthoquinones and their use as medicaments WELLCOME FOUND (GB) 1999-03-31 EP claimed
EP-0634996-A1 1,4 NAPHTHOQUINONE DERIVTIVES WITH ANTI-PROTOZOAL AND ANTI-PARASITIC ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1995-01-25 EP claimed
CN-1083048-A Heterogeneous ring compound WELLCOME FOUND (GB) 1994-03-02 CN claimed
EP-0580185-A1 Medicaments THE WELLCOME FOUNDATION LIMITED (GB) 1994-01-26 EP claimed
WO-1993020044-A1 1,4 NAPHTHOQUINONE DERIVTIVES WITH ANTI-PROTOZOAL AND ANTI-PARASITIC ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1993-10-14 WO claimed
EP-0537947-A1 Naphthoquinone derivatives for the treatment of parasitic infections THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-21 EP claimed
WO-1993007156-A1 NAPHTHOQUINONE DERIVATIVES FOR THE TREATMENT OF PARASITIC INFECTIONS THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-15 WO claimed
EP-0362996-A2 Naphthoquinones for the treatment and prophylaxis of pneumocystis carinii infections THE WELLCOME FOUNDATION LIMITED (GB) 1990-04-11 EP claimed

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-20130280212-A1 INHIBITORS OF CYTOCHROME P450 CYP11B1, CYP11B2, CYP2F1 HTR3A 2294/4885DRD2 4727/4885LSS 247/4885
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES FABP2, FABP4, GUSB HTR3A 3308/4885DRD2 4611/4885LSS 1151/4885
US-20130237517-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA HTR3A 2954/4885DRD2 865/4885LSS 119/4885
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R HTR3A 77/4885DRD2 517/4885LSS 1938/4885

“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.