SCHEMBL6322938

SCHEMBL6322938

O=C(Cl)CCCc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
MTNR1A P48039 3/20 0.51
MCL1 Q07820 3/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GRM2 Q14416 1/20 0.47
GRM3 Q14832 1/20 0.47
ACP3 P15309 1/20 0.46
P2RX7 Q99572 1/20 0.46
GPR84 Q9NQS5 1/20 0.46
CYP1A2 P05177 1/20 0.45
CDYL Q9Y232 1/20 0.45

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
SCHEMBL2300013 0.89 TDP1 (0.55) TDP1MTNR1AMCL1GRM2GRM3
SCHEMBL2314388 0.84 MEN1 (0.66) TDP1MTNR1AMCL1MEN1KMT2A
SCHEMBL1284856 0.84 MTNR1A (0.62) TDP1MTNR1AMCL1MEN1KMT2A
SCHEMBL29653519 0.80 KMT2A (0.74) TDP1MTNR1AMEN1KMT2ACYP1A2
SCHEMBL276470 0.80 KMT2A (0.74) TDP1MTNR1AMEN1KMT2ACYP1A2
SCHEMBL10616431 0.80 TDP1 (0.56) TDP1MTNR1AMCL1MEN1KMT2A
SCHEMBL30900805 0.79 TDP1 (0.61) TDP1MTNR1AMCL1MEN1KMT2A
SCHEMBL22129565 0.79 TDP1 (0.61) TDP1MTNR1AMCL1MEN1KMT2A
SCHEMBL5830948 0.79 GPR84 (0.59) TDP1MTNR1AMCL1ACP3GPR84
SCHEMBL9800436 0.79 CYP1A2 (0.58) TDP1MTNR1AMCL1ACP3GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949552-B2 Remedial agent for anxiety neurosis or depression and piperazine derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-09-27 US disclosed
US-20030186992-A1 Remedial agent for anxiety neurosis or depression and piperazine derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-10-02 US disclosed
EP-1295608-A1 REMEDIAL AGENT FOR ANXIETY NEUROSIS OR DEPRESSION AND PIPERAZINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2003-03-26 EP 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-20030186992-A1 Remedial agent for anxiety neurosis or depression and piperazine derivative CNR1, HTR4, TPH1 TDP1 3332/4885MTNR1A 16/4885MCL1 4354/4885

“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.