SCHEMBL4512783

SCHEMBL4512783

O=C(CCCN1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.71
CCR3 P51677 1/20 0.69
MEN1 O00255 1/20 0.66
CHRM2 P08172 1/20 0.66
HTR1A P08908 1/20 0.66
ADRA2A P08913 1/20 0.66
DRD1 P21728 1/20 0.66
ADRA1A P35348 1/20 0.66
OPRM1 P35372 1/20 0.66
DRD3 P35462 1/20 0.66
KMT2A Q03164 1/20 0.66
KCNH2 Q12809 1/20 0.66
HRH3 Q9Y5N1 1/20 0.66
HTR2A P28223 1/20 0.65

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 SCHEMBL7303580 0.99 DRD2 (0.69) DRD2CCR3MEN1CHRM2HTR1A
SCHEMBL9053418 0.93 CCR3 (0.65) CCR3
Hydrochloric Acid SCHEMBL7305754 0.93 MEN1 (0.69) DRD2MEN1CHRM2HTR1AADRA2A
SCHEMBL9050713 0.91 CCR3 (0.66) CCR3ADRA1A
Hydrochloric Acid SCHEMBL9053162 0.90 CCR3 (0.65) CCR3ADRA1A
SCHEMBL4499983 0.88 CYP2J2 (0.65) CCR3
SCHEMBL9051860 0.87 DRD2 (0.67) DRD2MEN1CHRM2HTR1AADRA2A
SCHEMBL17023763 0.85 CYP2J2 (0.70) DRD2CCR3CHRM2HTR1AADRA2A
SCHEMBL11364041 0.83 DRD2 (0.61) DRD2MEN1CHRM2HTR1AADRA2A
SCHEMBL20652674 0.83 DRD2 (1.00) DRD2MEN1CHRM2HTR1AADRA2A

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-1996002250-A1 HALOPERIDOL ANALOGS AND THE USE THEREOF ACEA PHARMACEUTICALS INC. (US) 1996-02-01 WO claimed
US-20090075974-A1 AGENT FOR PROPHYLAXIS AND TREATMENT OF PANCREATITIS UMN PHARMA INC. (JP) 2009-03-19 US disclosed
US-20090075974-A1 AGENT FOR PROPHYLAXIS AND TREATMENT OF PANCREATITIS UMN PHARMA INC. (JP) 2009-03-19 US disclosed
US-7485651-B2 Compounds with activity on muscarinic receptors ACADIA PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
US-20080108618-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS BRANN MARK 2008-05-08 US disclosed
US-20030144285-A1 Compounds with activity on muscarinic receptors BRANN MARK (US) 2003-07-31 US disclosed
US-6528529-B1 4-Methoxy-1-(4-(2-methylphenyl)-4-oxo-1-butyl)piperidine ACADIA PHARMACEUTICALS INC. 2003-03-04 US disclosed
CN-1303376-A Compound with activity on muscarinic receptors ACADIA PHARMACEUTICAL INC (US) 2001-07-11 CN disclosed
WO-2001005763-A2 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS ACADIA PHARMACEUTICALS, INC. (US) 2001-01-25 WO disclosed
EP-1068185-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS Acadia Pharmaceuticals Inc. (US) 2001-01-17 EP disclosed
WO-1999050247-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS ACADIA PHARMACEUTICALS, INC. (US) 1999-10-07 WO disclosed
WO-1996002250-A1 HALOPERIDOL ANALOGS AND THE USE THEREOF ACEA PHARMACEUTICALS INC. (US) 1996-02-01 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 (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-20080108618-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS CHRM3, CHRM2, CHRM1 DRD2 470/4885CCR3 1121/4885MEN1 539/4885
US-20090075974-A1 AGENT FOR PROPHYLAXIS AND TREATMENT OF PANCREATITIS HTR2A, HTR2B, HTR2C DRD2 185/4885CCR3 1286/4885MEN1 2626/4885
US-20030144285-A1 Compounds with activity on muscarinic receptors CHRM3, CHRM2, CHRM1 DRD2 470/4885CCR3 1121/4885MEN1 539/4885

“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.