SCHEMBL1995634

SCHEMBL1995634

NC(=O)Cc1nn(CC2CCN(CCF)CC2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.47
ROCK2 O75116 3/20 0.42
CNR1 P21554 2/20 0.41
HTR4 Q13639 2/20 0.39
ACHE P22303 1/20 0.38
CNR2 P34972 1/20 0.38
SSTR4 P31391 1/20 0.37
HTR7 P34969 4/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
GPR39 O43194 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
AKR1B1 P15121 1/20 0.36
HTR3A P46098 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1996234 0.88 CNR1 (0.46) PADI4ROCK2CNR1ACHECNR2
SCHEMBL1993250 0.88 ROCK2 (0.50) PADI4ROCK2CNR1ACHECNR2
SCHEMBL1997808 0.88 PADI4 (0.44) PADI4ROCK2CNR1HTR4ACHE
SCHEMBL1991081 0.85 RECQL (0.49) HTR2AHTR2C
SCHEMBL1993549 0.82 LTA4H (0.41) PADI4ROCK2CNR1HTR4
SCHEMBL1994502 0.81 ROCK2 (0.44) PADI4ROCK2CNR1ACHECNR2
SCHEMBL1996125 0.80 PADI4 (0.47) PADI4ROCK2CNR1ACHECNR2
SCHEMBL1992793 0.79 PADI4 (0.45) PADI4ROCK2CNR1ACHECNR2
SCHEMBL1992796 0.79 PADI4 (0.45) PADI4ROCK2CNR1ACHECNR2
SCHEMBL1992840 0.79 KDM4E (0.46) PADI4CNR1SSTR4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO PADI4 795/4885ROCK2 4260/4885CNR1 215/4885

“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.