SCHEMBL3879984

SCHEMBL3879984

NC1CCC(N2CCN(c3ccccn3)CC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL9203045 1.00 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BHRH3
SCHEMBL9201106 1.00 HTR1A (0.56) HTR1AADRA1DADRA1AADRA1BHRH3
SCHEMBL28161959 0.84 HRH3 (0.60) HTR1AADRA1DADRA1AADRA1BHRH3
SCHEMBL29683564 0.84 PLD1 (0.58) HRH3
SCHEMBL243658 0.84 PLD1 (0.58) HRH3
SCHEMBL19823057 0.82 HTR1A (0.70) HTR1AADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL17557596 0.82 PLD1 (0.56) HRH3
Hydrochloric Acid SCHEMBL243428 0.82 PLD1 (0.56) HRH3
SCHEMBL3882641 0.82 HTR1A (0.51) HTR1AADRA1DADRA1AADRA1BHRH3
SCHEMBL7898534 0.81 DRD2 (0.44) HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482348-B2 Piperazinyl substituted cyclohexane-1,4-diamines JANSSEN PHARMACEUTICA N.V. (BG) 2009-01-27 US disclosed
EP-1871373-A1 PIPERAZINYL SUBSTITUTED CYCLOHEXANE 1,4-DIAMINES JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-02 EP disclosed
US-20060223825-A1 Piperazinyl substituted cyclohexane-1,4-diamines JANSSEN PHARMACEUTICA, N.V. (BE) 2006-10-05 US disclosed
WO-2006104686-A1 PIPERAZINYL SUBSTITUTED CYCLOHEXANE 1,4-DIAMINES JANSSEN PHARMACEUTICA, N.V. (BE) 2006-10-05 WO disclosed
EP-0431580-B1 Substituted cyclohexanols as central nervous system agents WARNER LAMBERT CO (US) 1995-03-08 EP disclosed
US-5047406-A Substituted cyclohexanols as central nervous system agents WARNER-LAMBERT CO. (US) 1991-09-10 US disclosed
EP-0431580-A2 Substituted cyclohexanols as central nervous system agents WARNER-LAMBERT COMPANY (US) 1991-06-12 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-20060223825-A1 Piperazinyl substituted cyclohexane-1,4-diamines ADRA1D, ADRA1A, ADRB1 HTR1A 29/4885ADRA1D 1/4885ADRA1A 2/4885

“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.