SCHEMBL181005

SCHEMBL181005

N#CC(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
TRPA1 O75762 1/20 0.56
ALDH1A1 P00352 7/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
LMNA P02545 3/20 0.55
HTT P42858 3/20 0.55
HPGD P15428 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
USP2 O75604 1/20 0.55
AKR1C3 P42330 1/20 0.55
AKR1C1 Q04828 1/20 0.55
ALPG P10696 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 2/20 0.48
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
MAPK1 P28482 1/20 0.41
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL6307398 0.97 TSHR (0.54) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL13198785 0.97 ALDH1A1 (0.58) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL27539023 0.97 TSHR (0.54) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL909586 0.97 TSHR (0.54) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
Acetonitrile SCHEMBL28159901 0.92 ALDH1A1 (0.55) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL28381532 0.90 ALDH1A1 (0.49) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5773518 0.86 ALDH1A1 (0.50) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7995238 0.86 SLC6A2 (0.58) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL9447402 0.86 ALDH1A1 (0.54) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA
SCHEMBL5164828 0.86 L3MBTL1 (0.56) TSHRTRPA1ALDH1A1SMN1; SMN2LMNA

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 1414 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12398100-B2 Methods and intermediates for preparing hydrochloride salt of 5-[3-(3-hydroxyphenoxy)azetidin-1-yl]-5-methyl-2,2-diphenylhexanamide MYLAN LABORATORIES LIMITED (IN) 2025-08-26 US claimed
WO-2025111482-A1 COMPLEXING AGENT SALT FORMULATIONS OF PHARMACEUTICAL COMPOUNDS AT LOW STOICHIOMETRIC RATIOS BEXSON BIOMEDICAL, INC. (US) 2025-05-30 WO claimed
CN-119431386-A Synthesis method of 2'- (trifluoromethyl) -4, 5-dihydro-spiro [ furan-2, 3' -indoline ] derivative 西北师范大学 2025-02-14 CN claimed
CN-118271580-B Anion exchange membrane prepared from aryl piperidine copolymer containing triazine ring branched structure, preparation method and application 大连理工大学 2024-08-16 CN claimed
US-20240217919-A1 NOVEL METHODS FOR SYNTHESIZING ENANTIOPURE (S)-METHADONE, (R)-METHADONE, RACEMIC (R,S)-METHADONE AND RELATED ANALOGUE SUBSTANCES MANFREDI PAOLO L (US) 2024-07-04 US claimed
CN-118271580-A Anion exchange membrane prepared from aryl piperidine copolymer containing triazine ring branched structure, preparation method and application 大连理工大学 2024-07-02 CN claimed
WO-2024115722-A1 ASYMMETRICAL PHENYLENE BIS IMIDES AND THEIR PREPARATION ARXADA AG (CH) 2024-06-06 WO claimed
CN-117897146-A Novel process for synthesizing enantiomerically pure (S) -methadone, (R) -methadone, racemic (R, S) -methadone and related analogues 保罗·L·曼佛雷蒂 2024-04-16 CN claimed
EP-4319733-A1 NOVEL METHODS FOR SYNTHETIZING ENANTIOPURE (S)-METHADONE, (R)-METHADONE, RACEMIC (R,S)-METHADONE AND RELATED ANALOGUE SUBSTANCES Manfredi, Paolo L. (US) 2024-02-14 EP claimed
CN-116283783-A Preparation method of imidafenacin 南京联智医药科技有限公司 2023-06-23 CN claimed
US-5441743-A In thermoplastic or thermosetting binder BATTELLE MEMORIAL INSTITUTE (US) 1995-08-15 US claimed
CN-1019571-B Process for preparing biphenyl-n-propylamine derivatives and their salts CHINOIN GYOGYSZER ES VEGYESZET (HU) 1992-12-23 CN claimed
EP-0253327-B1 DIPHENYLPROPYLAMINE DERIVATIVES, THEIR PREPARATION AND THEIR PHARMACEUTICAL USE CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1992-05-06 EP claimed
WO-1990006975-A1 NON-TIN-BASED, LOW TOXICITY ANTI-FOULING AGENTS BATTELLE MEMORIAL INSTITUTE (US) 1990-06-28 WO claimed
CN-87104753-A Prepare the new diphenyl Tri N-Propyl Amine derivative and the method for salt thereof 1988-06-15 CN claimed
EP-0253327-A2 Diphenylpropylamine derivatives, their preparation and their pharmaceutical use CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1988-01-20 EP claimed
EP-0178946-A2 1-(Aminoalkyl)-alpha, alpha-diaryl pyrrolidine-piperidine- and homopiperidine- acetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1986-04-23 EP claimed
US-4307034-A ALKYLATION IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1981-12-22 US claimed
US-4242274-A DIPHENYLACETONITRILE, 1-(DIMETHYLAMINO)-2-HALOPROPANE, A BASE, WATER, A SOLVENT, AND A QUATERNARY CATALYST MALLINCKRODT, INC. (US) 1980-12-30 US claimed
US-4048211-A Modification of methadone synthesis process step ELI LILLY AND COMPANY (US) 1977-09-13 US claimed

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-20240217919-A1 NOVEL METHODS FOR SYNTHESIZING ENANTIOPURE (S)-METHADONE, (R)-METHADONE, RACEMIC (R,S)-METHADONE AND RELATED ANALOGUE SUBSTANCES OPRM1, OPRD1, OPRK1 TSHR 1369/4885TRPA1 1547/4885ALDH1A1 405/4885
US-12398100-B2 Methods and intermediates for preparing hydrochloride salt of 5-[3-(3-hydroxyphenoxy)azetidin-1-yl]-5-methyl-2,2-diphenylhexanamide HPD, AZI2, HDHD5 TSHR 3882/4885TRPA1 2924/4885ALDH1A1 329/4885

“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.