SCHEMBL6316867

SCHEMBL6316867

CN[C@H](Cc1ccccc1)C(=O)NCC1CCCO1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
ALDH1A1 P00352 2/20 0.57
HPGD P15428 5/20 0.56
RXFP1 Q9HBX9 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
KMT2A Q03164 1/20 0.53

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
Hydrochloric Acid SCHEMBL1311568 0.87 CYP1A2 (0.58) CYP1A2ALDH1A1HPGDRXFP1CYP3A4
SCHEMBL7356432 0.80 ALDH1A1 (0.52) CYP1A2ALDH1A1HPGDRXFP1CYP3A4
SCHEMBL8906161 0.80 CYP1A2 (0.45) CYP1A2ALDH1A1HPGDRXFP1CYP3A4
SCHEMBL8906164 0.80 CYP1A2 (0.49) CYP1A2ALDH1A1HPGDRXFP1CYP3A4
SCHEMBL6319439 0.80 CYP1A2 (0.45) CYP1A2ALDH1A1HPGDRXFP1CYP3A4
SCHEMBL18766739 0.79 PSMB5 (0.60) CYP1A2
SCHEMBL7356444 0.78 ALDH1A1 (0.53) CYP1A2ALDH1A1HPGDRXFP1CYP3A4
SCHEMBL12115243 0.78 CYP1A2 (0.68) CYP1A2
SCHEMBL4342556 0.78 CYP1A2 (0.68) CYP1A2
SCHEMBL7359278 0.78 CYP1A2 (0.53) CYP1A2ALDH1A1HPGDRXFP1MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6946005-B2 Pyrrolidinyl-substituted para-phenylenediamine derivatives substituted with a cationic radical, and use of these derivatives for dyeing keratin fibers L'OREAL S.A. (FR) 2005-09-20 US disclosed
US-6939880-B2 Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 2005-09-06 US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO disclosed
US-6555570-B2 Growth hormone secretagogous with improved bioavailability NOVO NORDISK A/S (DE) 2003-04-29 US disclosed
US-20030055261-A1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS (U.S.), INC. 2003-03-20 US disclosed
US-20030040483-A1 Compounds with growth hormone releasing properties HELSINN THERAPEUTICS (U.S.), INC. 2003-02-27 US disclosed
US-6127391-A A PEPTIDE MIMETIC COMPOUND FOR STIMULATING THE RELEASE OF GROWTH HORMONE FROM THE PITUITARY NOVO NORDISK A/S (DK) 2000-10-03 US disclosed
US-5977178-A Compounds with growth hormone releasing properties NOVO NORDISK A/S (DK) 1999-11-02 US disclosed
EP-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP disclosed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO 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 (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-20030055261-A1 Compounds with growth hormone releasing properties GHRHR, GHSR, IGFBP1 CYP1A2 2262/4885ALDH1A1 2804/4885HPGD 2445/4885
US-20030040483-A1 Compounds with growth hormone releasing properties GHRHR, GHSR, GRPR CYP1A2 2425/4885ALDH1A1 2542/4885HPGD 2185/4885

“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.