SCHEMBL181761

SCHEMBL181761

Clc1ccc(N2CCNCC2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 3/20 1.00
CYP1A2 P05177 2/20 0.67
ALDH1A1 P00352 3/20 0.56
HTR3E A5X5Y0 2/20 0.56
HTR3B O95264 2/20 0.56
HTR3A P46098 2/20 0.56
HTR3D Q70Z44 2/20 0.56
HTR3C Q8WXA8 2/20 0.56
CHRNB2 P17787 3/20 0.53
CHRNA4 P43681 3/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51

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 SCHEMBL9309714 0.98 BPTF (0.96) BPTFCYP1A2ALDH1A1HTR3EHTR3B
Hydrochloric Acid SCHEMBL4818062 0.98 BPTF (0.96) BPTFCYP1A2ALDH1A1HTR3EHTR3B
SCHEMBL5238778 0.93 BPTF (0.87) BPTFCYP1A2ALDH1A1HTR3EHTR3B
Hydrochloric Acid SCHEMBL9219094 0.92 BPTF (0.84) BPTFCYP1A2ALDH1A1HTR3EHTR3B
SCHEMBL6354020 0.92 BPTF (0.84) BPTFCYP1A2ALDH1A1HTR3EHTR3B
SCHEMBL6360151 0.89 BPTF (0.80) BPTFCYP1A2ALDH1A1HTR3EHTR3B
Fumaric Acid SCHEMBL27601353 0.86 BPTF (0.74) BPTFCYP1A2ALDH1A1HTR3EHTR3B
SCHEMBL9990416 0.82 CYP1A2 (0.88) BPTFCYP1A2ALDH1A1CHRNB2CHRNA4
SCHEMBL421732 0.82 CYP1A2 (0.96) BPTFCYP1A2ALDH1A1CHRNB2CHRNA4
SCHEMBL29845748 0.82 CYP1A2 (0.96) BPTFCYP1A2ALDH1A1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4312456-B2 2009-08-12 JP claimed
US-20070265241-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE OLSEN GUNNAR M 2007-11-15 US claimed
EP-1757600-A2 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance NeuroSearch A/S (DK) 2007-02-28 EP claimed
CN-1635877-A Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance NEUROSEARCH AS (DK) 2005-07-06 CN claimed
US-20040092508-A1 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance ANIONA APS (DK) 2004-05-13 US claimed
JP-2004510813-A 2004-04-08 JP claimed
EP-1358177-A2 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE NeuroSearch A/S (DK) 2003-11-05 EP claimed
WO-2002030405-A2 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE NEUROSEARCH A/S (DK) 2002-04-18 WO claimed
US-20230357265-A1 CDK Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS, INCORPORATED 2023-11-09 US disclosed
US-11685744-B2 CDK inhibitors and their use as pharmaceuticals PRELUDE THERAPEUTICS INCORPORATED (US) 2023-06-27 US disclosed
US-20220185796-A1 SMALL MOLECULE MODULATORS OF PANK ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2022-06-16 US disclosed
US-20220185796-A1 SMALL MOLECULE MODULATORS OF PANK ST. JUDE CHILDREN'S RESEARCH HOSPITAL 2022-06-16 US disclosed
WO-2022061273-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS, INCORPORATED (US) 2022-03-24 WO disclosed
WO-2020198526-A2 SMALL MOLECULE MODULATORS OF PANK ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2020-10-01 WO disclosed
EP-0055583-B1 ANTIHYPERTENSIVES Pfizer Limited (GB) 1985-08-28 EP disclosed
US-4483859-A 4-Amino-6, 7-dimethoxy-2-(4-heteroaryl-piperazino) quinazoline _antihypertensives PFIZER INC. (US) 1984-11-20 US disclosed
US-4483857-A 4-Amino-6,7-dimethoxy-2-(4-heteroaryl-piperazino)quinazoline antihypertensives PFIZER INC. (US) 1984-11-20 US disclosed
US-4435401-A 4-Amino-6,7-dimethoxy-2-(4-heteroaryl-piperazino)quinazoline antihypertensives PFIZER INC. (US) 1984-03-06 US disclosed
EP-0055583-A1 Antihypertensives Pfizer Limited (GB) 1982-07-07 EP disclosed
US-3994898-A 1,2,4-Triazolo (4,3-b) pyridazin-3-ones E. R. SQUIBB & SONS, INC. (US) 1976-11-30 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 (5 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-20070265241-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE TAAR5, CHRNA5, CHRNA4 BPTF 3076/4885CYP1A2 1239/4885ALDH1A1 784/4885
US-20230357265-A1 CDK Inhibitors And Their Use As Pharmaceuticals CDK6, CDK1, CDK3 BPTF 733/4885CYP1A2 1443/4885ALDH1A1 2921/4885
US-20040092508-A1 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance TAAR5, CHRNA5, CHRNA4 BPTF 3076/4885CYP1A2 1239/4885ALDH1A1 784/4885
US-20220185796-A1 SMALL MOLECULE MODULATORS OF PANK PANK2, PANK1, PANK3 BPTF 3451/4885CYP1A2 4398/4885ALDH1A1 4174/4885
US-11685744-B2 CDK inhibitors and their use as pharmaceuticals CDK6, CDK1, CDK3 BPTF 733/4885CYP1A2 1443/4885ALDH1A1 2921/4885

“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.