SCHEMBL21887585

SCHEMBL21887585

CCC1c2ccccc2NC1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 12/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
NOS2 P35228 1/20 0.36
CREBBP Q92793 2/20 0.35
BRD4 O60885 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BRPF1 P55201 1/20 0.33

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
SCHEMBL14095901 0.82 HDAC3 (0.38) HTR5AHDAC3HDAC1HDAC2CREBBP
SCHEMBL18388633 0.82 HTR5A (0.43) HTR5AHDAC3HDAC1HDAC2
SCHEMBL2666124 0.80 MEN1 (0.40) HTR5ANOS2CREBBPBRD4MEN1
SCHEMBL727320 0.79 HTR2A (0.43) HTR5AHDAC3HDAC1HDAC2MEN1
SCHEMBL19114614 0.78 HDAC3 (0.36) HTR5AHDAC3HDAC1HDAC2CREBBP
SCHEMBL12808124 0.77 NOS2 (0.38) HTR5ANOS2CREBBPBRD4MEN1
SCHEMBL14304542 0.77 HTR2A (0.46) HTR5AHDAC3HDAC1HDAC2MEN1
SCHEMBL21898300 0.76 HTR5A (0.41) HTR5AHDAC3HDAC1HDAC2NOS2
SCHEMBL19308761 0.76 HDAC3 (0.35) HTR5AHDAC3HDAC1HDAC2
SCHEMBL8291311 0.74 HTR5A (0.35) HTR5ANOS2CREBBPBRD4MEN1

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-20200087305-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS INTRA-CELLULAR THERAPIES, INC. (US) 2020-03-19 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-20200087305-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES SYNTHESIS HCCS, CYCS, CBR3 HTR5A 1095/4885HDAC3 1000/4885HDAC1 2314/4885

“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.