SCHEMBL12273620

SCHEMBL12273620

O=C1C=C(Cl)C2=C(C1)Sc1cc(N3CCNCC3)cc(Cl)c1N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR3E A5X5Y0 2/20 0.34
HTR3B O95264 2/20 0.34
HTR3A P46098 2/20 0.34
HTR3D Q70Z44 2/20 0.34
HTR3C Q8WXA8 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
CYP2D6 P10635 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL12273209 0.91 IP6K1 (0.34)
SCHEMBL12273786 0.82 MEN1 (0.45) HTTALDH1A1
SCHEMBL12273505 0.82 CNR1 (0.31) CYP3A4
SCHEMBL12273500 0.80 NPC1 (0.37) TP53
SCHEMBL12273006 0.78 ADRB1 (0.37) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL15875881 0.78 ADRB1 (0.51) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL15875883 0.74 CHRNB2 (0.48) ADRB1CHRM2CHRM4CHRM1CHRM3
SCHEMBL12273180 0.68
SCHEMBL12273519 0.68 MAPT (0.31) ALDH1A1
SCHEMBL12272419 0.68 IP6K1 (0.34)

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-8759336-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-06-24 US disclosed
US-20120238543-A1 Antiviral Compounds Prosetta Antiviral, Inc. (US) 2012-09-20 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-20120238543-A1 Antiviral Compounds MAVS, EIF2AK2, IRF3 ADRB1 2924/4885CHRM2 4742/4885CHRM4 3743/4885

“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.