SCHEMBL655758

SCHEMBL655758

OC1(c2cc(Cl)cc(Cl)c2)CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.66
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
ADRB1 P08588 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
TACR1 P25103 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
CCR1 P32246 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
SLC6A2 P23975 9/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36

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
Hydrochloric Acid SCHEMBL30005276 0.98 DRD2 (0.63) DRD2CHRM2CHRM4ADRB1CHRM1
SCHEMBL3111623 0.88 DRD2 (0.52) DRD2CHRM2CHRM4ADRB1CHRM1
SCHEMBL2270541 0.87 DRD2 (0.56) DRD2TACR1MAPKAPK2SIGMAR1SLC6A2
SCHEMBL652461 0.81 DRD2 (0.62) DRD2ADRB1CCR1SIGMAR1SLC6A2
SCHEMBL24394130 0.80 DRD2 (0.41) DRD2CCR1SLC6A2CHRNA1CHRNG
SCHEMBL187716 0.79 DRD2 (1.00) DRD2MAPKAPK2SLC6A2SLC6A3OPRM1
Hydrochloric Acid SCHEMBL11625365 0.78 DRD2 (0.96) DRD2MAPKAPK2SLC6A2SLC6A3OPRM1
SCHEMBL3110638 0.77 DRD2 (0.45) DRD2SLC6A2CHRNA1CHRNGCHRNB1
Hydrochloric Acid SCHEMBL2790980 0.76 DRD2 (0.92) DRD2MAPKAPK2SLC6A2SLC6A3OPRM1
SCHEMBL2273415 0.75 OPRM1 (0.64) DRD2TACR1MAPKAPK2SIGMAR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11914294-B2 Positive resist composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-02-27 US disclosed
US-20220244642-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-08-04 US disclosed
US-20190015400-A1 Antifungal Compositions UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2019-01-17 US disclosed
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
EP-2471774-B1 Piperidinyl derivatives as modulators of chemokine receptor activity BRISTOL MYERS SQUIBB CO (US) 2016-08-24 EP disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 EP disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 US disclosed
CN-104031054-A Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC 2014-09-10 CN disclosed
CN-1585772-B chemokine receptor antagonists and methods and uses thereof MILLENNIUM PHARM INC 2014-06-04 CN disclosed
EP-0777652-A1 NEUROPROTECTIVE 3-(PIPERIDINYL-1)-CHROMAN-4,7-DIOL AND 1-(4-HYDROPHENYL)-2-(PIPERIDINYL-1)-ALKANOL DERIVATIVES PFIZER INC. (US) 1997-06-11 EP disclosed
WO-1996037226-A2 COMBINATIONS FOR THE TREATMENT OF PARKINSONISM CONTAINING SELECTIVE NMDA ANTAGONISTS PFIZER INC. (US) 1996-11-28 WO disclosed
EP-0741724-A1 NEUROPROTECTIVE CHROMAN COMPOUNDS PFIZER INC. (US) 1996-11-13 EP disclosed
EP-0533344-B1 Methanoanthracenes as dopamine antagonists ZENECA LTD (GB) 1996-10-16 EP disclosed
WO-1996014846-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-05-23 WO disclosed
US-5512575-A ANTISEROTONINE AGENT ZENECA LIMITED (GB) 1996-04-30 US disclosed
WO-1996006081-A1 NEUROPROTECTIVE 3-(PIPERIDINYL-1)-CHROMAN-4,7-DIOL AND 1-(4-HYDROPHENYL)-2-(PIPERIDINYL-1)-ALKANOL DERIVATIVES PFIZER INC. (US) 1996-02-29 WO disclosed
WO-1995020587-A1 NEUROPROTECTIVE CHROMAN COMPOUNDS PFIZER INC. (US) 1995-08-03 WO disclosed
EP-0533344-A1 Methanoanthracenes as dopamine antagonists ZENECA LIMITED (GB) 1993-03-24 EP disclosed
US-4166853-A Antihypertensive 7-trifluoromethyl-4-aminoquinolones THE UPJOHN COMPANY (US) 1979-09-04 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-20190015400-A1 Antifungal Compositions DPM1, HNMT, ERG28 DRD2 301/4885CHRM2 784/4885CHRM4 1380/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 DRD2 3118/4885CHRM2 747/4885CHRM4 913/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 DRD2 3118/4885CHRM2 747/4885CHRM4 913/4885

“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.