SCHEMBL537951

SCHEMBL537951

BrCCN(CCBr)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 2/20 0.48
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
TRPA1 O75762 1/20 0.48
CNR2 P34972 1/20 0.45
AOC3 Q16853 1/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
CALM1 P0DP23 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
HTT P42858 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
NCOR2 Q9Y618 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
Bromide SCHEMBL29414651 0.98 TDP1 (0.48) TDP1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL2240248 0.95 TDP1 (0.50) TDP1OPRM1OPRD1OPRK1ALDH1A1
Bromide SCHEMBL10680860 0.93 TDP1 (0.48) TDP1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL11690052 0.87 MAOB (0.54) OPRM1ALDH1A1TSHRCNR2HRH3
SCHEMBL18410710 0.86 HDAC3 (0.47) TDP1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL24097751 0.84 TSHR (0.41) TDP1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL9329761 0.84 HTT (0.53) OPRM1OPRD1OPRK1ALDH1A1TSHR
SCHEMBL3256423 0.82 HDAC3 (0.45) TDP1OPRM1OPRD1OPRK1TSHR
SCHEMBL4081568 0.81 HTT (0.55) OPRM1OPRD1OPRK1ALDH1A1TSHR
SCHEMBL3634860 0.81 HDAC3 (0.51) TDP1OPRM1OPRD1OPRK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4439380-A Photopolymerizable composition, especially for dental purposes ETABLISSEMENT DENTAIRE IVOCLAR (LI) 1984-03-27 US claimed
US-12492181-B2 Gem-disubstituted piperidine melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2025-12-09 US disclosed
WO-2025245178-A1 PAK4, CSTF2, OR CSTF2T PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS INNOVO THERAPEUTICS, INC. (US) 2025-11-27 WO disclosed
US-12479807-B2 Methods using HDAC11 inhibitors VALO HEALTH, INC. (US) 2025-11-25 US disclosed
US-12466829-B2 Spirocyclic piperidine melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2025-11-11 US disclosed
US-12421211-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2025-09-23 US disclosed
US-20250223285-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO LTD (CN) 2025-07-10 US disclosed
WO-2025124516-A1 COMPOUND HAVING AKT KINASE-DEGRADING ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 南京正大天晴制药有限公司 2025-06-19 WO disclosed
CN-120157686-A Compound with AKT kinase degradation activity, preparation method and pharmaceutical application thereof 南京正大天晴制药有限公司 2025-06-17 CN disclosed
EP-4565323-A1 AROMATIC COMPOUNDS FOR USE AS PROTEIN PHOSPHATASE 2A (PP2A) MODULATORS Rappta Therapeutics Oy (FI) 2025-06-11 EP disclosed
WO-2018075959-A1 METHODS USING HDAC11 INHIBITORS FORMA THERAPEUTICS, INC. (US) 2018-04-26 WO disclosed
WO-2017144900-A1 MASS SPECTROMETRY KIT THE BINDING SITE GROUP LIMITED (GB) 2017-08-31 WO disclosed
US-9303061-B2 Spiro compounds as Hepatitis C virus inhibitors Sunshine Luke Pharma Co., Ltd. (CN) 2016-04-05 US disclosed
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2014-05-29 US disclosed
EP-2414366-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE Novartis AG (CH) 2012-02-08 EP disclosed
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 US disclosed
WO-2010112520-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2010-10-07 WO disclosed
EP-0562624-A2 Stabilization of functional proteins Modrovich, Ivan E. (US) 1993-09-29 EP disclosed
US-4489710-A Composition and method for transplantation therapy XOMA CORPORATION (US) 1984-12-25 US disclosed
US-4439380-A Photopolymerizable composition, especially for dental purposes ETABLISSEMENT DENTAIRE IVOCLAR (LI) 1984-03-27 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 (7 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-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 TDP1 4607/4885OPRM1 3204/4885OPRD1 1176/4885
US-12466829-B2 Spirocyclic piperidine melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC2R, MC1R, MC3R TDP1 4859/4885OPRM1 87/4885OPRD1 65/4885
US-12421211-B2 Heterocyclic compounds F12, C1R, MRPL21 TDP1 3036/4885OPRM1 1303/4885OPRD1 406/4885
US-20250223285-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ TDP1 2453/4885OPRM1 4682/4885OPRD1 4274/4885
US-12479807-B2 Methods using HDAC11 inhibitors HDAC11, HDAC1, HDAC10 TDP1 652/4885OPRM1 4825/4885OPRD1 4776/4885
US-20140147412-A1 SPIRO COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS HAVCR2, SORD, SLC10A1 TDP1 3253/4885OPRM1 495/4885OPRD1 778/4885
US-12492181-B2 Gem-disubstituted piperidine melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC1R, MC3R, MC2R TDP1 4822/4885OPRM1 137/4885OPRD1 196/4885

“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.