SCHEMBL15317630

SCHEMBL15317630

CN1CCC(c2ccc3c(cnn3C)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.50
PDE1C Q14123 1/20 0.44
HDAC4 P56524 2/20 0.42
MAP4K1 Q92918 3/20 0.41
KDM1A O60341 3/20 0.41
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
PTGER3 P43115 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
CREBBP Q92793 2/20 0.40
BRD4 O60885 1/20 0.40
GRIN2B Q13224 1/20 0.39
DRD4 P21917 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL29769081 0.91 PDE1C (0.48) PDE1CHDAC4KDM1APTGER3KDM2B
SCHEMBL1365601 0.85 PDE1C (0.44) PDE1CHDAC4KDM1APTGER3KDM2B
SCHEMBL23212079 0.84 PDE1C (0.47) QDPRPDE1CHDAC4KDM1APTGER3
SCHEMBL19868691 0.82 PDE1C (0.45) PDE1CHDAC4KDM1APTGER3KDM2B
Hydrochloric Acid SCHEMBL21381782 0.82 PDE1C (0.45) QDPRPDE1CHDAC4KDM1APTGER3
Hydrochloric Acid SCHEMBL30567988 0.82 PDE1C (0.45) QDPRPDE1CHDAC4KDM1APTGER3
SCHEMBL27306565 0.81 KDM1A (0.44) PDE1CHDAC4KDM1ADRD2SLC6A4
SCHEMBL21876110 0.80 PDE1C (0.44) PDE1CHDAC4KDM1APTGER3KDM2B
SCHEMBL21876109 0.80 PDE1C (0.44) PDE1CHDAC4KDM1APTGER3KDM2B
SCHEMBL19868693 0.80 PDE1C (0.41) PDE1CHDAC4KDM1APTGER3KDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 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 (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-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 QDPR 2647/4885PDE1C 4590/4885HDAC4 427/4885

“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.