SCHEMBL4418458

SCHEMBL4418458

NC(=O)C(c1ccccc1)N1CCCCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.72
LMNA P02545 3/20 0.69
ALDH1A1 P00352 3/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
TSHR P16473 1/20 0.57
CYP1A2 P05177 5/20 0.53
CYP2C9 P11712 5/20 0.53
CYP2C19 P33261 5/20 0.53
CYP3A4 P08684 4/20 0.53
CYP2D6 P10635 4/20 0.53
KCNA5 P22460 4/20 0.53
KCNH2 Q12809 4/20 0.53
KCNE1 P15382 1/20 0.53
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
HPGD P15428 2/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL3990860 1.00 GAA (0.72) GAALMNAALDH1A1KMT2AMEN1
SCHEMBL12486937 0.98 LMNA (0.71) GAALMNAALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL12487282 0.96 LMNA (0.74) GAALMNAALDH1A1KMT2AMEN1
SCHEMBL15797438 0.86 GAA (0.55) GAALMNAALDH1A1KMT2AMEN1
SCHEMBL1808956 0.85 GAA (0.96) GAALMNAALDH1A1KMT2AMEN1
SCHEMBL15063248 0.85 GAA (0.96) GAALMNAALDH1A1KMT2AMEN1
SCHEMBL2554530 0.85 GAA (0.96) GAALMNAALDH1A1KMT2AMEN1
SCHEMBL628011 0.85 GAA (0.96) GAALMNAALDH1A1KMT2AMEN1
SCHEMBL4777610 0.84 GAA (0.51) GAALMNAALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL2988022 0.84 GAA (1.00) GAALMNAALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507212-B1 PROCESS FOR PREPARING METHYL PHENIDATE HYDROCHLORIDE HARMAN FINOCHEM LTD (IN) 2014-04-16 EP claimed
EP-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP claimed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO claimed
US-20030049807-A1 Micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities INSTITUTO BIOCHIMICO ITALIANO GIOVANNI LOREZINI S.P.A. (IT) 2003-03-13 US claimed
EP-1291435-A2 A micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities ISTITUTO BIOCHIMICO ITALIANO GIOVANNI LORENZINI S.p.A. (IT) 2003-03-12 EP claimed
US-9512077-B2 Process for the preparation of methylphenidate hydrochloride and its intermediates thereof ZCL CHEMICALS LTD. (IN) 2016-12-06 US disclosed
US-9475770-B2 Low-temperature synthesis of methylphenidate hydrochloride RHODES TECHNOLOGIES (US) 2016-10-25 US disclosed
CN-103298785-B Low Temperature Synthesis of Methylphenidate Hydrochloride RHODES TECHNOLOGIES (US) 2016-04-20 CN disclosed
EP-2937336-A1 LOW-TEMPERATURE SYNTHESIS OF METHYLPHENIDATE HYDROCHLORIDE Rhodes Technologies (US) 2015-10-28 EP disclosed
EP-2651892-B1 LOW-TEMPERATURE SYNTHESIS OF METHYLPHENIDATE HYDROCHLORIDE RHODES TECHNOLOGIES (US) 2015-04-22 EP disclosed
US-20150051400-A1 A PROCESS FOR THE PREPARATION OF METHYLPHENIDATE HYDROCHLORIDE AND ITS INTERMEDIATES THEREOF COHANCE LIFESCIENCES LIMITED (IN) 2015-02-19 US disclosed
US-20150038720-A1 Low-Temperature Synthesis of Methylphenidate Hydrochloride RHODES TECHNOLOGIES (US) 2015-02-05 US disclosed
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed
US-7002016-B2 Process for the preparation of threo-methylphenidate hydrochloride ISP INVESTMENTS INC. (US) 2006-02-21 US disclosed
WO-2004080583-A2 PROCESS FOR THE PREPARATION OF threo-METHYLPHENIDATE HYDROCHLORIDE ISP INVESTMENTS INC. (US) 2004-09-23 WO disclosed
WO-2004080959-A2 PROCESS FOR THE PREPARATION OF DEXMETHYLPHENIDATE HYDROCHLORIDE ISP INVESTMENTS INC. (US) 2004-09-23 WO disclosed
US-20040176412-A1 Process for the preparation of threo-methylphenidate hydrochloride ISP INVESTMENTS INC. 2004-09-09 US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-20030049807-A1 Micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities INSTITUTO BIOCHIMICO ITALIANO GIOVANNI LOREZINI S.P.A. (IT) 2003-03-13 US disclosed
EP-1291435-A2 A micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities ISTITUTO BIOCHIMICO ITALIANO GIOVANNI LORENZINI S.p.A. (IT) 2003-03-12 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 (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-20040176412-A1 Process for the preparation of threo-methylphenidate hydrochloride COMT, METTL3, SLC6A3 GAA 665/4885LMNA 4656/4885ALDH1A1 241/4885
US-20150038720-A1 Low-Temperature Synthesis of Methylphenidate Hydrochloride COMT, CYP3A43, CYP3A4 GAA 265/4885LMNA 3814/4885ALDH1A1 712/4885
US-20150051400-A1 A PROCESS FOR THE PREPARATION OF METHYLPHENIDATE HYDROCHLORIDE AND ITS INTERMEDIATES THEREOF COMT, CYP3A4, CYP3A43 GAA 93/4885LMNA 3168/4885ALDH1A1 158/4885

“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.