SCHEMBL88302

SCHEMBL88302

O=C(O)NCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
CYP1A2 P05177 2/20 0.42
TSHR P16473 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL29579635 1.00 HTR2A (0.45) HTR2AMAPTKMT2AHDAC3HDAC4
Ammonia Solution, Strong SCHEMBL28099493 0.98 HTR2A (0.44) HTR2AMAPTKMT2AHDAC3HDAC4
Hexane SCHEMBL28816063 0.90 BCHE (0.45) HTR2AKMT2AMEN1
Piperidine SCHEMBL5679331 0.86 MAPT (0.42) MAPTKMT2ATSHR
SCHEMBL28246095 0.85 KMT2A (0.44) KMT2AFABP7FABP5
SCHEMBL1567087 0.85 HTR2A (0.45) HTR2AMAPTKMT2AHDAC3HDAC4
SCHEMBL28338711 0.83 HTR2A (0.48) HTR2AMAPTKMT2AHDAC3HDAC4
SCHEMBL21895871 0.83 MTNR1A (0.49) HTR2AKMT2AHDAC3HDAC4HDAC7
SCHEMBL27880277 0.83 HTR2A (0.44) HTR2AMAPTKMT2AHDAC3HDAC4
SCHEMBL6817705 0.82 CYP1A2 (0.36) MAPTKMT2ACYP1A2TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025077996-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS PHARMA MAR, S.A. (ES) 2025-04-17 WO claimed
EP-3634951-B1 NOVEL SUBSTITUTED SULFOXIMINE COMPOUNDS ZYDUS LIFESCIENCES LTD (IN) 2024-07-10 EP claimed
EP-3908587-B1 METHOD FOR SYNTHESIS OF DIAZABICYCLO[6.2.0]DECANE RELATED COMPOUNDS EISAI R&D MAN CO LTD (JP) 2024-05-22 EP claimed
EP-3715346-B1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA FARBER CANCER INST INC (US) 2024-01-03 EP claimed
CN-117222623-A Acid addition salts of (S) -3- (2, 5-dimethoxy-4- (trifluoromethyl) phenyl) piperidine and (S) -3- (2-methoxy-5- (methylthio) -4- (trifluoromethyl) phenyl) piperidine, specific polymorphs thereof and processes for preparing the same 罗弗拉有限公司 2023-12-12 CN claimed
EP-2970107-B1 PHOTOSWITCHABLE HDAC INHIBITORS MASSACHUSETTS GEN HOSPITAL (US) 2023-11-15 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
US-20220402900-A1 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER BASILEA PHARM INT AG (CH) 2022-12-22 US claimed
EP-3291676-B1 MITRAGYNINE ANALOGS AND USES THEREOF MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-08-17 EP claimed
EP-4003983-A1 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER Basilea Pharmaceutica International AG (CH) 2022-06-01 EP claimed
EP-1638964-A1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2006-03-29 EP claimed
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-01-05 US claimed
US-20050256116-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-11-17 US claimed
EP-1575911-A2 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-21 EP claimed
EP-1567509-A2 BIPHENYL COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-08-31 EP claimed
WO-2005037737-A1 METHOD FOR THE PRODUCTION OF [18F] FLUORIDE-MARKED AROMATIC L-AMINO ACIDS Eberhard-Karls-Universität Tübingen (DE) 2005-04-28 WO claimed
WO-2004113331-A1 NOVEL COMPOUNDS THAT MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-29 WO claimed
WO-2004048351-A2 BIPHENYL COMPOUNDS WHICH ACTIVATE PPAR-GAMMA TYPE RECEPTORS AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-10 WO claimed
WO-2004046091-A2 BIAROMATIC COMPOUNDS WHICH ACTIVATE PPAR-GAMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-03 WO claimed
WO-2002012185-A1 PROCESS FOR PREPARING 2,3-DIAMINOPROPANOLS AND SYNTHESIS OF OTHER COMPOUNDS USING 2,3-DIAMINOPROPANOLS CHEMBIONEX CO., LTD. (KR) 2002-02-14 WO 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 (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-20220402900-A1 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER OXER1, CBR3, CCNY HTR2A 2815/4885MAPT 4877/4885KMT2A 2986/4885
US-20060004048-A1 Novel biaromatic compounds which activate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD HTR2A 1304/4885MAPT 4037/4885KMT2A 3323/4885
US-20050256116-A1 Novel biaromatic compounds which activate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD HTR2A 1118/4885MAPT 3651/4885KMT2A 2979/4885

“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.