SCHEMBL221597

SCHEMBL221597

c1cc2c(cn1)[N]CCC2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
CHRNA7 P36544 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL7019855 0.94 SIGMAR1 (0.57) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL736652 0.87
SCHEMBL224421 0.83 SIGMAR1 (0.54) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL7449194 0.78 SIGMAR1 (0.57) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL5604 0.71 TSHR (0.48) ALDH1A1NOS3NOS1NOS2
5,6,7,8-Tetrahydroisoquinoline SCHEMBL28211 0.70 SIGMAR1 (1.00) SIGMAR1CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL2388666 0.70
SCHEMBL29518090 0.70
Bromide SCHEMBL11831501 0.70 TSHR (0.46) ALDH1A1NOS3NOS1NOS2
SCHEMBL737232 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 EP claimed
US-10851108-B2 Substituted bicyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US claimed
US-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2019-05-02 US claimed
CN-118252829-A CRF receptor antagonists and methods of use 纽罗克里生物科学有限公司 2024-06-28 CN disclosed
US-20240208907-A1 GPR52 MODULATORS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2024-06-27 US disclosed
US-20240156742-A1 TARGETED MULTIFUNCTIONAL NANOSTRUCTURED LIPID CARRIERS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2024-05-16 US disclosed
US-20240148886-A1 INTRACELLULAR DELIVERY COMPOSITIONS BIOND BIOLOGICS LTD. (IL) 2024-05-09 US disclosed
WO-2024091541-A1 COMPOUNDS AND COMPOSITIONS AS GPR52 MODULATORS NEUROCRINE BIOSCIENCES, INC. (US) 2024-05-02 WO disclosed
WO-2024091538-A1 COMPOUNDS AND COMPOSITIONS AS GPR52 MODULATORS NEUROCRINE BIOSCIENCES, INC. (US) 2024-05-02 WO disclosed
WO-2024091542-A1 COMPOUNDS AND COMPOSITIONS AS GPR52 MODULATORS NEUROCRINE BIOSCIENCES, INC. (US) 2024-05-02 WO disclosed
CN-113226310-B 15-PGDH inhibitors 杏林制药株式会社 2024-03-19 CN disclosed
EP-1065204-A1 Bicycliccarbonyl indole compounds as anti-inflammatory/analgesic agents and as COX-2 inhibitors PFIZER INC. (US) 2001-01-03 EP disclosed
EP-1065206-A1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2001-01-03 EP disclosed
US-6133409-A REACTING A SOLID SUPPORT-BOUND N-ALKYLATED HYDROXAMIC ACID WITH A CARBON-NITROGEN CLEAVING ORGANOMETALLIC COMPUND TO LIBERATE THE PRODUCT KETONE AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-10-17 US disclosed
US-6127515-A Functionalized resin for the synthesis of amides and peptides AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-10-03 US disclosed
EP-1030665-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO disclosed
WO-1999067192-A2 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDE, KETONE, OXIME, AMINE, HYDROXAMIC ACID AND α,β-UNSATURATED CARBOXYLIC ACID AND ALDEHYDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-29 WO disclosed
WO-1999048870-A1 PIPERIDIDINYL AND N-AMIDINOPIPERIDINYL DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-09-30 WO disclosed
WO-1999020275-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-04-29 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 (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-20240156742-A1 TARGETED MULTIFUNCTIONAL NANOSTRUCTURED LIPID CARRIERS LCAT, CD47, PHOSPHO1 SIGMAR1 3114/4885CHRNB2 4055/4885CHRNA4 4681/4885
US-20240148886-A1 INTRACELLULAR DELIVERY COMPOSITIONS ACTB, CHERP, EEA1 SIGMAR1 1745/4885CHRNB2 2986/4885CHRNA4 4260/4885
US-20190127380-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS NR0B1, GRK4, CRKL SIGMAR1 439/4885CHRNB2 459/4885CHRNA4 205/4885
US-20240208907-A1 GPR52 MODULATORS AND METHODS OF USE GPR52, GPR68, GPR35 SIGMAR1 559/4885CHRNB2 39/4885CHRNA4 112/4885
US-10851108-B2 Substituted bicyclic heterocyclic compounds NR0B1, GRK4, CRKL SIGMAR1 439/4885CHRNB2 459/4885CHRNA4 205/4885

“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.