SCHEMBL18919232

SCHEMBL18919232

COc1ccc(CCN2CCN(C(=O)C=Cc3c(C)[nH]c4ccccc34)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.49
▸ DRD3 P35462 3/20 0.49
▸ SMPD1 P17405 1/20 0.47
▸ SIGMAR1 Q99720 3/20 0.46
▸ GPR183 P32249 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ CHRM3 P20309 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ HTR2A P28223 1/20 0.43

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
SCHEMBL18919231 1.00 DRD2 (0.49) DRD2DRD3SMPD1SIGMAR1GPR183
SCHEMBL18919161 0.91 PIKFYVE (0.51) DRD2DRD3SIGMAR1POLBALDH1A1
SCHEMBL18919163 0.91 PIKFYVE (0.51) DRD2DRD3SIGMAR1POLBALDH1A1
SCHEMBL18919090 0.90 MAPT (0.52) DRD2GPR183POLBMEN1ALDH1A1
SCHEMBL18919093 0.90 MAPT (0.52) DRD2GPR183POLBMEN1ALDH1A1
SCHEMBL18919059 0.90 SIGMAR1 (0.54) DRD2DRD3SIGMAR1ALDH1A1LMNA
SCHEMBL18919060 0.90 SIGMAR1 (0.54) DRD2DRD3SIGMAR1ALDH1A1LMNA
SCHEMBL18919203 0.89 PIKFYVE (0.49) SIGMAR1GPR183POLBMEN1ALDH1A1
SCHEMBL18919206 0.89 PIKFYVE (0.49) SIGMAR1GPR183POLBMEN1ALDH1A1
SCHEMBL18919082 0.89 GPR183 (0.47) SIGMAR1GPR183MEN1ALDH1A1LMNA

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-20170157135-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS NOVOGEN LIMITED (AU) 2017-06-08 — — 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-20170157135-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 DRD2 3980/4885DRD3 3690/4885SMPD1 1625/4885

“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.

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