SCHEMBL3047736

SCHEMBL3047736

Cc1nccn1CCNC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.52
CNR1 P21554 3/20 0.50
CNR2 P34972 2/20 0.50
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
P2RX7 Q99572 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL3053595 0.82 TP53 (0.57) P2RX7MEN1KMT2A
SCHEMBL12304473 0.81 CYP1A2 (0.51) ALDH1A1MEN1KMT2A
SCHEMBL3038961 0.80 ALDH1A1 (0.51) ALDH1A1KMT2A
SCHEMBL812138 0.77 ALDH1A1 (0.51) ALDH1A1KMT2A
SCHEMBL10364646 0.76 MTNR1A (0.54) ALDH1A1KMT2A
SCHEMBL3043408 0.76 CNR1 (0.48) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL811127 0.75 CA12 (0.52) ALDH1A1KMT2A
SCHEMBL17355067 0.74 KMT2A (0.51) ALDH1A1MEN1KMT2A
SCHEMBL10856186 0.73 CA12 (0.51) RAB9AALDH1A1MEN1KMT2A
SCHEMBL8131223 0.72 ALDH1A1 (0.54) RAB9AALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US claimed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US claimed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP claimed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US disclosed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US disclosed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 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 (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-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 RAB9A 2465/4885CNR1 46/4885CNR2 68/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B RAB9A 1123/4885CNR1 608/4885CNR2 348/4885

“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.