SCHEMBL6150130

SCHEMBL6150130

Cc1nc2cnccc2n1CC1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 3/20 0.43
PTAFR P25105 7/20 0.43
CNR2 P34972 2/20 0.43
PTGER4 P35408 1/20 0.40
BRD4 O60885 1/20 0.40
CYP2D6 P10635 1/20 0.39
CCR5 P51681 1/20 0.39

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 SCHEMBL6149148 0.84 CNR2 (0.44) RPS6KA5CNR2PTGER4BRD4
Hydrochloric Acid SCHEMBL6149568 0.82 CNR2 (0.49) RPS6KA5CNR2PTGER4BRD4
Hydrochloric Acid SCHEMBL6153277 0.80 PDE4B (0.37) RPS6KA5CNR2BRD4CYP2D6
SCHEMBL14252550 0.77 RPS6KA5 (0.69) RPS6KA5
SCHEMBL4126037 0.77 RPS6KA5 (0.60) RPS6KA5CYP2D6CCR5
SCHEMBL6157116 0.74 GPR119 (0.48) CNR2
SCHEMBL13834686 0.74 ATM (0.46) RPS6KA5PTGER4BRD4
SCHEMBL8130054 0.73 PTGER4 (0.43) PTAFRPTGER4BRD4CYP2D6CCR5
SCHEMBL8136476 0.73 LMNA (0.44)
SCHEMBL8120303 0.72 CACNA2D1 (0.53) BRD4CYP2D6CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0738269-B1 PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY URIACH & CIA SA J (ES) 2000-04-26 EP claimed
US-5705504-A PLATELET ACTIVATING FACTOR J. URIACH & CIA, S.A. (ES) 1998-01-06 US claimed
EP-0738269-A1 NOVEL PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY J. URIACH & CIA. S.A. (ES) 1996-10-23 EP claimed
WO-1996014317-A1 NOVEL PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY J. URIACH & CIA. S.A. (ES) 1996-05-17 WO claimed
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 US disclosed
EP-1495044-A1 HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY J. Uriach y Compania S.A. (ES) 2005-01-12 EP disclosed
WO-2003084984-A1 HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY J. URIACH Y COMPANIA S.A. (ES) 2003-10-16 WO disclosed
EP-0790998-B1 AZO DERIVATIVES OF 5-AMINOSALICYLIC ACID FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE URIACH & CIA SA J (ES) 2001-01-17 EP disclosed
EP-0738269-B1 PIPERIDINE DERIVATIVES WITH PAF ANTAGONIST ACTIVITY URIACH & CIA SA J (ES) 2000-04-26 EP disclosed
US-5747477-A INFLAMMATORY BOWEL DISEASE, GASTROINTESTINAL DISORDERS, CROHN*S DISEASE J. URIACH & CIA S.A. (ES) 1998-05-05 US disclosed
US-5705504-A PLATELET ACTIVATING FACTOR J. URIACH & CIA, S.A. (ES) 1998-01-06 US disclosed
WO-1997009329-A1 AZO DERIVATIVES OF 5-AMINOSALICYLIC ACID FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE J. URIACH & CIA. S.A. (ES) 1997-03-13 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 (1 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-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity ITGB4, ITGA4, ITGA1 RPS6KA5 1539/4885PTAFR 964/4885CNR2 1250/4885

“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.