SCHEMBL17765488

SCHEMBL17765488

CCCCN(CCCC)C(=O)n1c(=O)ccc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.41
BRD4 O60885 1/20 0.41
BRPF1 P55201 1/20 0.41
CA9 Q16790 1/20 0.41
KAT2B Q92831 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR7 P34969 4/20 0.41
TACR1 P25103 1/20 0.41
OXER1 Q8TDS5 4/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL5324862 0.78 ALDH1A1 (0.49) ALDH1A1TACR1OXER1
SCHEMBL30321862 0.76 OXER1 (0.55) LMNASMN1; SMN2CA12BRD4BRPF1
SCHEMBL14229159 0.75 NOTUM (0.50) P2RX4ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL30321500 0.74 CA12 (0.50) P2RX4CA12BRD4BRPF1CA9
SCHEMBL14763172 0.72 OXER1 (0.43) ALDH1A1CA12BRD4BRPF1CA9
SCHEMBL30672091 0.72 CA12 (0.55) ALDH1A1LMNACA12BRD4BRPF1
SCHEMBL6568800 0.72 CA12 (0.55) ALDH1A1LMNACA12BRD4BRPF1
SCHEMBL5722231 0.72 ADORA3 (0.48) ALDH1A1LMNASMN1; SMN2CA12BRD4
SCHEMBL10662835 0.71 CA12 (0.53) P2RX4ALDH1A1LMNACA12BRD4
SCHEMBL14772540 0.71 THRA (0.43) OXER1MAOAMAOB

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-9539252-B2 Piperazine-substituted benzothiophene derivatives as antipsychotic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-01-10 US disclosed
US-20160143905-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-05-26 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-20160143905-A1 PIPERAZINE-SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AS ANTIPSYCHOTIC AGENTS SUZ12, BRPF3, BRD4 P2RX4 1811/4885ALDH1A1 1257/4885LMNA 4438/4885

“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.