SCHEMBL3319952

SCHEMBL3319952

C1=CCN(c2cccc3ccccc23)C=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.42
TSHR P16473 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
CYP1A2 P05177 1/20 0.42
HTR1A P08908 1/20 0.42
CYP2D6 P10635 1/20 0.42
NCF1 P14598 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
MTOR P42345 1/20 0.42
HTR3A P46098 1/20 0.42
HTR5A P47898 1/20 0.42
HTR6 P50406 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL9475516 0.80 CYP11B1 (0.44)
SCHEMBL21250754 0.78 HSD17B10 (0.53) HSD17B10TSHRHTR3EHTR3BCYP1A2
SCHEMBL27992652 0.75 NPEPPS (0.34) HSD17B10CYP1A2HTR2AHTR3AALDH1A1
SCHEMBL4216264 0.75 HSD17B10 (0.48) HSD17B10TSHRHTR3EHTR3BCYP1A2
SCHEMBL29958355 0.74
SCHEMBL7789812 0.74 ALDH1A1 (0.41) TSHRALDH1A1HPGDKDM4ELMNA
SCHEMBL9276325 0.74 KEAP1 (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9276285 0.74 MGLL (0.37)
SCHEMBL1238592 0.74 MGLL (0.37) GSK3AGSK3BHCAR1
SCHEMBL28406341 0.74 GAA (0.36) HSD17B10CYP1A2CYP2D6NFKB1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197829-B1 ARYLAMINE SYNTHESIS METHOD CENTRE NAT RECH SCIENT (FR) 2016-05-04 EP claimed
US-20130274484-A1 AROMATIC COMPOUNDS BEARING AT LEAST ONE PHOSPHONATE OR PHOSPHINATE GROUP, PREPARATION METHOD AND USES THEREOF SOLVAY (CHINA) CO., LTD (CN) 2013-10-17 US claimed
US-8399680-B2 Arylamine synthesis method CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2013-03-19 US claimed
US-20100298571-A1 ARYLAMINE SYNTHESIS METHOD CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 US claimed
EP-0085185-B1 INTEGRATED PROCESS FOR THE PREPARATION OF SUBSTANTIALLY LINEAR HIGH MOLECULAR WEIGHT THERMOPLASTIC POLYMERS FROM ARYL POLYHALIDE MONOMERS AMOCO CORPORATION (US) 1987-05-20 EP claimed
US-4400499-A OXIDATIVE COUPLING UNION CARBIDE CORPORATION (US) 1983-08-23 US claimed
EP-0085185-A1 Integrated process for the preparation of substantially linear high molecular weight thermoplastic polymers from aryl polyhalide monomers AMOCO CORPORATION (US) 1983-08-10 EP claimed
WO-2024081345-A1 BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS ONKURE, INC. (US) 2024-04-18 WO disclosed
WO-2024064024-A1 ((4-OXO-3,4-DIHYDROQUINAZOLIN-8-YL)METHYL)AMINE DERIVATIVES AS P13K INHIBITORS FOR THE TREATMENT OF CANCER ONKURE, INC. (US) 2024-03-28 WO disclosed
WO-2023239710-A1 BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS ONKURE, INC. (US) 2023-12-14 WO disclosed
EP-2043970-B1 IRON-COPPER CO-CATALYZED PROCESS FOR CARBON-CARBON OR CARBON-HETEROATOM BONDING CENTRE NAT RECH SCIENT (FR) 2018-04-18 EP disclosed
US-9861971-B2 Catalytic system for cross-coupling reactions CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2018-01-09 US disclosed
US-20160130205-A1 CATALYTIC SYSTEM FOR CROSS-COUPLING REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2016-05-12 US disclosed
EP-0025460-B1 COUPLING OF ARYL AND HETEROARYL POLYHALIDES AMOCO CORPORATION (US) 1987-04-08 EP disclosed
US-4579851-A HYPOTENSIVE, ANTIARRHYTHMIA AGENTS MERCK & CO., INC. (US) 1986-04-01 US disclosed
EP-0163238-A2 Substituted and bridged pyridines useful as pharmaceutical agents MERCK & CO. INC. (US) 1985-12-04 EP disclosed
US-4486576-A NICKEL-CATALYZED COUPLING UNION CARBIDE CORPORATION (US) 1984-12-04 US disclosed
EP-0095042-A1 Aromatic coating materials from aryl polyhalides UNION CARBIDE CORPORATION (US) 1983-11-30 EP disclosed
US-4400499-A OXIDATIVE COUPLING UNION CARBIDE CORPORATION (US) 1983-08-23 US disclosed
EP-0085185-A1 Integrated process for the preparation of substantially linear high molecular weight thermoplastic polymers from aryl polyhalide monomers AMOCO CORPORATION (US) 1983-08-10 EP 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-20130274484-A1 AROMATIC COMPOUNDS BEARING AT LEAST ONE PHOSPHONATE OR PHOSPHINATE GROUP, PREPARATION METHOD AND USES THEREOF PHOSPHO1, ATIC, ACP1 HSD17B10 3418/4885TSHR 2296/4885HTR3E 4598/4885
US-20160130205-A1 CATALYTIC SYSTEM FOR CROSS-COUPLING REACTIONS HCCS, FECH, CTRC HSD17B10 578/4885TSHR 2358/4885HTR3E 1948/4885
US-20100298571-A1 ARYLAMINE SYNTHESIS METHOD NAT1, ASNS, AOC2 HSD17B10 967/4885TSHR 1305/4885HTR3E 2691/4885

“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.