SCHEMBL254969

SCHEMBL254969

CCN(CC)C(=O)c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
LMNA P02545 2/20 0.56
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
TSHR P16473 2/20 0.54
TP53 P04637 2/20 0.53
KEAP1 Q14145 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
MAPK1 P28482 1/20 0.50
PKM P14618 1/20 0.49

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
SCHEMBL14052340 0.86 KEAP1 (0.55) ALDH1A1LMNAOPRM1OPRD1TSHR
SCHEMBL610480 0.86 TP53 (0.69) ALDH1A1LMNATSHRTP53KEAP1
SCHEMBL29822323 0.86 TP53 (0.69) ALDH1A1LMNATSHRTP53KEAP1
SCHEMBL3442880 0.84 ESR1 (0.56) ALDH1A1LMNAOPRM1OPRD1TSHR
SCHEMBL3309142 0.84 ALB (0.55) ALDH1A1LMNAOPRM1OPRD1TSHR
SCHEMBL6648606 0.83 TSHR (0.47) ALDH1A1LMNAOPRM1OPRD1TSHR
SCHEMBL255338 0.83 KMT2A (0.54) ALDH1A1LMNAOPRM1OPRD1TP53
SCHEMBL7219292 0.82 KEAP1 (0.48) ALDH1A1LMNAOPRM1OPRD1TSHR
SCHEMBL7852399 0.80 KEAP1 (0.46) ALDH1A1LMNAOPRM1OPRD1TSHR
SCHEMBL10652028 0.80 KEAP1 (0.46) ALDH1A1LMNAOPRM1OPRD1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022058896-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE FOR MANAGEMENT OF METABOLIC DISORDER CADILA HEALTHCARE LIMITED (IN) 2022-03-24 WO claimed
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT VALO HEALTH, INC. 2023-11-02 US disclosed
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
WO-2023192989-A2 PHTHALAZINONE COMPOUNDS AS PARP7 INHIBITORS AZKARRA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
WO-2022058896-A1 INHIBITORS OF LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE FOR MANAGEMENT OF METABOLIC DISORDER CADILA HEALTHCARE LIMITED (IN) 2022-03-24 WO disclosed
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2021-07-15 US disclosed
EP-3587406-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2021-01-27 EP disclosed
US-10472342-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-11-12 US disclosed
US-10457655-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-10-29 US disclosed
US-10450286-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-10-22 US disclosed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO disclosed
WO-2012031199-A1 GUANIDINE COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO disclosed
US-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
CN-101896180-A Combination 059 ASTRAZENECA AB 2010-11-24 CN disclosed
CN-101048369-B Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB 2010-09-08 CN disclosed
CN-101511796-A Imidazole derivative KYOWA HAKKO KOGYO KK (JP) 2009-08-19 CN disclosed
CN-101048369-A Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2007-10-03 CN disclosed
EP-0133310-B1 IMIDAZOLIDINONES, AND IMIDAZOLIDINETHIONES, PROCESS FOR THE PREPARATION THEREOF, AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1988-09-14 EP disclosed
US-4608079-A Imidazolidinones, and imidazolidinethiones, process and intermediates for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1986-08-26 US disclosed
EP-0133310-A1 Imidazolidinones, and imidazolidinethiones, process for the preparation thereof, and use of said compounds as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1985-02-20 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 (6 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-20100311746-A1 MODULATORS OF MUSCARINIC RECEPTORS CHRM3, CHRM5, CHRM2 ALDH1A1 2356/4885LMNA 4093/4885OPRM1 66/4885
US-10472342-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD ALDH1A1 1393/4885LMNA 217/4885OPRM1 933/4885
US-10450286-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD ALDH1A1 1393/4885LMNA 217/4885OPRM1 933/4885
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD ALDH1A1 1643/4885LMNA 285/4885OPRM1 1043/4885
US-10457655-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD ALDH1A1 1393/4885LMNA 217/4885OPRM1 933/4885
US-20230346753-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT NAMPT, NNMT, NQO1 ALDH1A1 1273/4885LMNA 1579/4885OPRM1 326/4885

“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.