SCHEMBL2814030

SCHEMBL2814030

O=C1CCCCN1CCCCCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ADRA1B P35368 6/20 0.44
ADRA1A P35348 2/20 0.44
HRH3 Q9Y5N1 1/20 0.42
ACHE P22303 1/20 0.42
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PKM P14618 1/20 0.40
PIK3CD O00329 1/20 0.40
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10975726 0.98 L3MBTL1 (0.49) L3MBTL1ADRA1BADRA1AHRH3ACHE
SCHEMBL10974389 0.98 L3MBTL1 (0.45) L3MBTL1ADRA1BADRA1AHRH3ACHE
SCHEMBL4575002 0.94 ADRA1B (0.49) ADRA1BADRA1ACYP1A2CHRM2CHRM4
SCHEMBL3943706 0.94 L3MBTL1 (0.47) L3MBTL1ADRA1BADRA1AHRH3ACHE
SCHEMBL17219124 0.92 ADRA1B (0.48) ADRA1BADRA1ACYP1A2CHRM2CHRM4
SCHEMBL2493043 0.88 PIK3CD (0.47) ADRA1BADRA1ACYP1A2CHRM2CHRM4
SCHEMBL10976378 0.86 L3MBTL1 (0.50) L3MBTL1ADRA1BADRA1AHRH3ACHE
SCHEMBL3475827 0.84 L3MBTL1 (0.53) L3MBTL1ADRA1BADRA1AHRH3ACHE
Hydrochloric Acid SCHEMBL11757284 0.84 L3MBTL1 (0.49) L3MBTL1ADRA1BADRA1AHRH3ACHE
SCHEMBL19514132 0.81 PIK3CD (0.52) ADRA1BADRA1ACYP1A2CHRM2CHRM4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013001498-A1 AMIDOALKYLPIPERAZINYL DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES ADAMED SP. Z O.O. (PL) 2013-01-03 WO disclosed
US-8324378-B2 Prodrugs and conjugates of prenylation inhibitors PURDUE RESEARCH FOUNDATION (US) 2012-12-04 US disclosed
US-8324378-B2 Prodrugs and conjugates of prenylation inhibitors PURDUE RESEARCH FOUNDATION (US) 2012-12-04 US disclosed
US-8324378-B2 Prodrugs and conjugates of prenylation inhibitors PURDUE RESEARCH FOUNDATION (US) 2012-12-04 US disclosed
US-20100249072-A1 PRODRUGS AND CONJUGATES OF PRENYLATION INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2010-09-30 US disclosed
US-20100249072-A1 PRODRUGS AND CONJUGATES OF PRENYLATION INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2010-09-30 US disclosed
US-20100249072-A1 PRODRUGS AND CONJUGATES OF PRENYLATION INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2010-09-30 US disclosed
WO-2009029849-A1 PRODRUGS AND CONJUGATES OF PRENYLATION INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2009-03-05 WO disclosed
WO-2009029849-A1 PRODRUGS AND CONJUGATES OF PRENYLATION INHIBITORS PURDUE RESEARCH FOUNDATION (US) 2009-03-05 WO disclosed
EP-0060610-B1 HEXAHYDRO-TRANS- AND TETRAHYDROPYRIDOINDOLE NEUROLEPTIC AGENTS PFIZER INC. (US) 1985-09-04 EP disclosed
US-4432978-A NEUROLEPTIC AGENTS, TRANQUILIZERS PFIZER INC. (US) 1984-02-21 US disclosed
US-4431649-A TRANQUILIZERS PFIZER INC. (US) 1984-02-14 US disclosed
US-4431646-A TRANQUILIZERS; PSYCHOSIS; NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1984-02-14 US disclosed
US-4427679-A TRANQUILIZERS; PSYCHOLOGICAL DISORDERS PFIZER INC. (US) 1984-01-24 US disclosed
EP-0060610-A1 Hexahydro-trans- and tetrahydropyridoindole neuroleptic agents PFIZER INC. (US) 1982-09-22 EP disclosed
US-4337250-A NEUROLEPTIC AGENTS PFIZER INC. (US) 1982-06-29 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 (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-20100249072-A1 PRODRUGS AND CONJUGATES OF PRENYLATION INHIBITORS FNTA, FNTB, FDPS L3MBTL1 959/4885ADRA1B 4500/4885ADRA1A 4621/4885

“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.