SCHEMBL6770810

SCHEMBL6770810

c1ccc2nc(N3CCCNCC3)ncc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.60
CHRNA4 P43681 3/20 0.60
HTR3A P46098 3/20 0.60
HRH4 Q9H3N8 1/20 0.60
ALDH1A1 P00352 4/20 0.51
USP2 O75604 3/20 0.51
CYP1A2 P05177 3/20 0.51
HSD17B10 Q99714 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP3A4 P08684 2/20 0.51
HTR1A P08908 2/20 0.51
HTR7 P34969 2/20 0.51
HTR6 P50406 2/20 0.51
HTR3E A5X5Y0 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HTR3B O95264 1/20 0.51
ADRB1 P08588 1/20 0.51
HTR2C P28335 1/20 0.51
MAPK1 P28482 1/20 0.51
SLC6A4 P31645 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
SCHEMBL1029333 0.94 HTR3A (0.67) CHRNB2CHRNA4HTR3AHRH4ALDH1A1
SCHEMBL30824484 0.86 HTR3A (0.73) HTR3AHRH4ALDH1A1HSD17B10TDP1
SCHEMBL5508534 0.86 HTR3A (0.73) HTR3AHRH4ALDH1A1HSD17B10TDP1
SCHEMBL29648042 0.86 HTR3A (0.73) HTR3AHRH4ALDH1A1HSD17B10TDP1
Acetic Acid SCHEMBL27459452 0.85 HTR3A (0.59) HTR3AHRH4ALDH1A1USP2CYP1A2
SCHEMBL31691646 0.84 HTR3A (0.71) HTR3AHRH4ALDH1A1HSD17B10TDP1
SCHEMBL3776403 0.84 HTR3A (0.71) HTR3AHRH4ALDH1A1HSD17B10TDP1
SCHEMBL30120391 0.80 HTR3A (0.50) CHRNB2CHRNA4HTR3AHRH4ALDH1A1
SCHEMBL7595742 0.77 HTR3A (0.52) CHRNB2CHRNA4HTR3AHRH4ALDH1A1
SCHEMBL3551319 0.76 HTR3A (0.69) HTR3AHRH4CYP1A2HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 US disclosed
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 DUKE UNIVERSITY (US) 2015-11-19 US disclosed
US-6821967-B2 AMINES SUCH AS 9-(4-(4-(BENZOTHIAZOL-2-YL)-PIPERAZIN-1-YL)-BUTYL)-9H-FLUORENE-9-CARBOXYLIC ACID (2,2,2-TRIFLUOROETHYL) AMIDE, USED AS MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN ANTAGONISTS, TO PREVENT ATHEROSCLEROSIS OR HYPERLIPEMIA BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-11-23 US disclosed
US-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-09-04 US disclosed
EP-0060081-B1 PIPERAZINOQUINAZOLINE ANTIHYPERTENSIVES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND IMMUNOGENIC PROTEIN CONJUGATES FORMED FROM THEM PFIZER INC. (US) 1985-07-17 EP disclosed
US-4495188-A HYPERTENSIVE AGENT SANKYO COMPANY LIMITED (JP) 1985-01-22 US disclosed
EP-0028473-B1 CHLORO- AND ALKOXY-SUBSTITUTED-2,4-DIAMINOQUINAZOLINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER INC. (US) 1985-01-09 EP disclosed
EP-0053047-B1 ACYLAMINOQUINAZOLINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1984-06-27 EP disclosed
US-4426382-A HYPOTENSIVE AGENTS SANKYO COMPANY LIMITED (JP) 1984-01-17 US disclosed
US-4426382-A HYPOTENSIVE AGENTS SANKYO COMPANY LIMITED (JP) 1984-01-17 US disclosed
US-4377581-A ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1983-03-22 US disclosed
US-4351940-A Chloro- and alkoxy-substituted-2-chloro-4-aminodquinazolines PFIZER INC. (US) 1982-09-28 US disclosed
EP-0060081-A2 Piperazinoquinazoline antihypertensives, processes for preparing them, pharmaceutical compositions containing them, and immunogenic protein conjugates formed from them PFIZER INC. (US) 1982-09-15 EP disclosed
EP-0053047-A1 Acylaminoquinazoline derivatives, a process for their preparation and a pharmaceutical composition containing them SANKYO COMPANY LIMITED (JP) 1982-06-02 EP disclosed
US-4287341-A USEFUL AS ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1981-09-01 US disclosed
US-4171363-A HYPOTENSIVE BRISTOL-MYERS COMPANY (US) 1979-10-16 US disclosed
US-4101548-A HYPOTENSIVE BRISTOL-MYERS COMPANY (US) 1978-07-18 US disclosed
US-4001237-A HYPOTENSIVES BRISTOL-MYERS COMPANY (US) 1977-01-04 US disclosed
US-4001238-A HYPOTENSIVES BRISTOL-MYERS COMPANY (US) 1977-01-04 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 (2 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-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments MTTP, CETP, CPT1A CHRNB2 4532/4885CHRNA4 4417/4885HTR3A 2835/4885
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 CHRNB2 55/4885CHRNA4 73/4885HTR3A 166/4885

“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.