SCHEMBL6358114

SCHEMBL6358114

COc1cc(N2CCN(CCCc3c[nH]c4ccccc34)CC2)ncn1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.72
SLC6A4 P31645 1/20 0.53
HTR7 P34969 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL6362295 0.85 HTR1A (0.55) HTR1ASLC6A4HTR7KCNH2
SCHEMBL16432074 0.84 HTR1A (1.00) HTR1A
SCHEMBL16433151 0.81 HTR1A (1.00) HTR1A
SCHEMBL9204908 0.80 HTR1A (0.65) HTR1AHTR7
SCHEMBL17615851 0.80 HTR1A (0.90) HTR1A
Water SCHEMBL9208095 0.79 HTR1A (0.64) HTR1AHTR7
SCHEMBL18026457 0.78 HTR1A (0.74) HTR1ASLC6A4
SCHEMBL6355097 0.78 HTR1A (0.62) HTR1ASLC6A4HTR7KCNH2
SCHEMBL17241849 0.77 HTR1A (0.73) HTR1A
SCHEMBL11820831 0.77 HTR1A (0.79) HTR1ASLC6A4HTR7KCNH2

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
EP-0464604-B1 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines BRISTOL MYERS SQUIBB CO (US) 1995-03-29 EP claimed
EP-0464604-A2 1-Indolylalkyl-4-(alkoxy-pyrimidinyl)piperazines Bristol-Myers Squibb Company (US) 1992-01-08 EP claimed
US-5077293-A Antidepressants BRISTOL-MYERS SQUIBB CO. (US) 1991-12-31 US claimed
US-20050095286-A1 Extended release compositions FABRE KRAMER PHARMACEUTICALS, INC. (US) 2005-05-05 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-20050095286-A1 Extended release compositions PDE3A, GIPR, PDE7A HTR1A 22/4885SLC6A4 167/4885HTR7 8/4885

“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.