SCHEMBL6406698

SCHEMBL6406698

CN1CCN(C2CCCc3ccc(C(=O)NCc4cccc(Cl)c4)cc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.53
DRD3 P35462 2/20 0.53
HTR1A P08908 1/20 0.47
IDO1 P14902 1/20 0.46
KCNH2 Q12809 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
THRB P10828 1/20 0.44
MTNR1B P49286 1/20 0.44
ADORA1 P30542 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
SCHEMBL6407460 0.90 HTR2C (0.58) HTR2CDRD3HTR1AIDO1KCNH2
SCHEMBL6404451 0.89 HTR2C (0.53) HTR2CDRD3HTR1ALMNASMN1; SMN2
SCHEMBL6406000 0.89 CXCR3 (0.51) HTR2CDRD3HTR1ALMNAMTNR1B
SCHEMBL6405348 0.87 KMT2A (0.58) LMNAMTNR1B
SCHEMBL6407417 0.86 HRH4 (0.52) HTR2CDRD3HTR1A
SCHEMBL6407639 0.86 HTR2C (0.49) HTR2CDRD3HTR1ALMNAMTNR1B
SCHEMBL6409545 0.85 GAA (0.55) HTR2CDRD3HTR1ALMNASMN1; SMN2
SCHEMBL6409555 0.84 HTR2C (0.58) HTR2CDRD3HTR1ALMNASMN1; SMN2
SCHEMBL6409860 0.82 HTR2C (0.48) HTR2CDRD3HTR1ALMNA
SCHEMBL6405838 0.82 MTNR1B (0.58) MTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists PFIZER INC 2005-12-29 US claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
US-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists PFIZER INC 2005-12-29 US disclosed
WO-2005113527-A1 TETRAHYDRONAPHTHYL- PIPERAZINES AS 5-HT1B ANTAGONISTS, INVERSE AGONISTS AND PARTIAL AGONISTS PFIZER PRODUCTS INC. (US) 2005-12-01 WO 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-20050288304-A1 Tetrahydronaphthylpiperazines as 5HT1B antagonists, inverse agonists and partial agonists HTR1A, HTR1B, HTR1D HTR2C 8/4885DRD3 33/4885HTR1A 1/4885

“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.