SCHEMBL9160801

SCHEMBL9160801

COc1cccc2c1CCC=C2CCCN1CCN(c2ccccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 1.00
HTR1A P08908 4/20 0.61
ADRA1D P25100 2/20 0.61
ADRA1A P35348 2/20 0.61
ADRA1B P35368 2/20 0.61
ABCB1 P08183 1/20 0.60

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
SCHEMBL14761749 0.91 SIGMAR1 (0.84) SIGMAR1HTR1AADRA1DADRA1AADRA1B
SCHEMBL14761802 0.88 SIGMAR1 (0.78) SIGMAR1HTR1AADRA1DADRA1AADRA1B
SCHEMBL9161518 0.85 SIGMAR1 (1.00) SIGMAR1ABCB1
SCHEMBL9164109 0.85 SIGMAR1 (1.00) SIGMAR1HTR1AABCB1
SCHEMBL9284248 0.81 SIGMAR1 (1.00) SIGMAR1HTR1AABCB1
SCHEMBL9164924 0.80 SIGMAR1 (0.81) SIGMAR1ABCB1
SCHEMBL9163662 0.77 SIGMAR1 (0.77) SIGMAR1ABCB1
SCHEMBL4780350 0.77 ABCB1 (0.84) SIGMAR1ABCB1
SCHEMBL14291716 0.75 ABCB1 (1.00) SIGMAR1ABCB1
SCHEMBL9159097 0.74 SIGMAR1 (0.81) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647222-A1 N(HETERO)-ARYL-N(HETERO)-TETRALIN-ALKYL-PIPERAZINE HAVING SEROTONINERGIC, DOPAMINERGIC AND ADRENERGIC ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1995-04-12 EP claimed
WO-1994000441-A1 N(HETERO)-ARYL-N(HETERO)-TETRALIN-ALKYL-PIPERAZINE HAVING SEROTONINERGIC, DOPAMINERGIC AND ADRENERGIC ACTIVITY FARMITALIA CARLO ERBA S.R.L. (IT) 1994-01-06 WO claimed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
WO-2011150183-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2011-12-01 WO disclosed
EP-0647222-A1 N(HETERO)-ARYL-N(HETERO)-TETRALIN-ALKYL-PIPERAZINE HAVING SEROTONINERGIC, DOPAMINERGIC AND ADRENERGIC ACTIVITY PHARMACIA & UPJOHN S.p.A. (IT) 1995-04-12 EP disclosed
WO-1994000441-A1 N(HETERO)-ARYL-N(HETERO)-TETRALIN-ALKYL-PIPERAZINE HAVING SEROTONINERGIC, DOPAMINERGIC AND ADRENERGIC ACTIVITY FARMITALIA CARLO ERBA S.R.L. (IT) 1994-01-06 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-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF HTR5A, HTR3B, HTR1A SIGMAR1 71/4885HTR1A 3/4885ADRA1D 245/4885

“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.