SCHEMBL663244

SCHEMBL663244

CNC(C)(C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.59
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALOX15 P16050 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 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
Bromide SCHEMBL5814168 0.97 KCNN4 (0.56) KCNN4MAPK1LMNACYP2D6ALDH1A1
Bromide SCHEMBL5814172 0.97 KCNN4 (0.56) KCNN4MAPK1LMNACYP2D6ALDH1A1
SCHEMBL1026821 0.91 KCNN4 (0.50) KCNN4MAPK1LMNACYP2D6ALDH1A1
SCHEMBL11621274 0.87 KCNN4 (0.46) KCNN4MAPK1LMNACYP2D6ALDH1A1
SCHEMBL18812907 0.85 KIF11 (0.48) KCNN4MAPK1LMNACYP2D6ALDH1A1
SCHEMBL11781276 0.80 APP (0.48) KCNN4MAPT
SCHEMBL11768479 0.80 LMNA (0.48) KCNN4LMNACYP2D6TAAR1HDAC1
SCHEMBL26357793 0.80 LTA4H (0.48) KCNN4MAPK1LMNAALDH1A1MAPT
SCHEMBL471139 0.80 KCNN4 (0.48) KCNN4MAPK1ALDH1A1TAAR1ALOX15
Hydrochloric Acid SCHEMBL11704713 0.79 APP (0.46) KCNN4LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285769-B1 A PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY PURE AMINES GENERICS UK LTD (GB) 2014-08-13 EP claimed
US-5847216-A Preparation of selegiline KNOLL AKTIENGESELLSCHAFT (DE) 1998-12-08 US claimed
EP-0772584-B1 PROCESS FOR PREPARING SELEGILIN KNOLL AG (DE) 1998-06-17 EP claimed
EP-3538084-B1 PHENYL AND PYRIDINYL HYDROXAMIC ACIDS ACETYLON PHARMACEUTICALS INC (US) 2023-11-01 EP disclosed
US-20230203030-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS ARVINAS OPERATIONS, INC. 2023-06-29 US disclosed
US-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-29 US disclosed
US-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-29 US disclosed
EP-3052501-B1 BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2022-06-22 EP disclosed
US-20220162216-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-05-26 US disclosed
US-20220162217-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-05-26 US disclosed
US-20220010071-A1 Polyimide Precursor, Polyimide Precursor Composition, Polyimide Film, Method for Preparing the Same, and Use Thereof SK IE TECHNOLOGY CO., LTD. (KR) 2022-01-13 US disclosed
EP-0772584-A1 PROCESS FOR PREPARING SELEGILIN KNOLL AKTIENGESELLSCHAFT (DE) 1997-05-14 EP disclosed
WO-1996008461-A1 PROCESS FOR PREPARING SELEGILIN KNOLL AKTIENGESELLSCHAFT (DE) 1996-03-21 WO disclosed
WO-1996008461-A1 PROCESS FOR PREPARING SELEGILIN KNOLL AKTIENGESELLSCHAFT (DE) 1996-03-21 WO disclosed
WO-1996004274-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1996-02-15 WO disclosed
CN-1065453-A Biguanide derivative, its manufacture method and the Herb of Common violet that contains this derivative OTSUKA CHEMICAL CO LTD (JP) 1992-10-21 CN disclosed
CN-1062544-A The compositions of thermosetting resin that contains arylamino resin MITSUI TOATSU CHEMICALS (JP) 1992-07-08 CN disclosed
CN-1017055-B Process for producing aromatic amine resin MITSUI TOATSU CHEMICALS (JP) 1992-06-17 CN disclosed
CN-1037721-A Compositions of thermosetting resin MITSUI TOATSU CHEMICALS (JP) 1989-12-06 CN disclosed
US-4455164-A HALOGENATED DERIVATIVES IDEMITSU KOSAN COMPANY LIMITED (JP) 1984-06-19 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 (5 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-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 KCNN4 331/4885MAPK1 767/4885LMNA 3483/4885
US-20230203030-A1 COMPOUNDS AND METHODS FOR THE ENHANCED DEGRADATION OF TARGETED PROTEINS VHL, MDM2, XIAP KCNN4 4871/4885MAPK1 3972/4885LMNA 3215/4885
US-20220010071-A1 Polyimide Precursor, Polyimide Precursor Composition, Polyimide Film, Method for Preparing the Same, and Use Thereof PARG, PARN, PUF60 KCNN4 2855/4885MAPK1 3675/4885LMNA 333/4885
US-20220162216-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, REN KCNN4 194/4885MAPK1 877/4885LMNA 3799/4885
US-20220162217-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, REN KCNN4 224/4885MAPK1 1173/4885LMNA 3432/4885

“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.