SCHEMBL5832222

SCHEMBL5832222

C1CC2CCNCC(C1)N2

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.30

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
SCHEMBL28835527 0.91
SCHEMBL24254052 0.89
SCHEMBL503209 0.89
SCHEMBL8192003 0.86 SMN1; SMN2 (0.35)
SCHEMBL28882571 0.86 SMN1; SMN2 (0.35)
SCHEMBL16878573 0.84 SLC6A1 (0.38)
SCHEMBL702038 0.83
SCHEMBL23505391 0.83
SCHEMBL16878175 0.78
SCHEMBL1449497 0.77 CCR5 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2003-09-18 US claimed
EP-1301514-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-04-16 EP claimed
WO-2002002564-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-10 WO claimed
WO-2013057205-A1 DIAZABICYCLO- AND DIAZASPIRO-ALKANE DERIVATIVES AS PHOSPHODIESTERASE-5 INHIBITORS TECHNISCHE UNIVERSITAET WIEN (AT) 2013-04-25 WO disclosed
US-8399457-B2 Pharmaceutical compounds NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2013-03-19 US disclosed
US-20100029622-A1 MICROEMULSIONS NEUROSCIENZE PHARMANESS S.C.A.R.L. (IT) 2010-02-04 US disclosed
US-20100028257-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2010-02-04 US disclosed
US-7060699-B2 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2006-06-13 US disclosed
US-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2003-09-18 US disclosed
EP-1301514-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-04-16 EP disclosed
WO-2002002564-A1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-01-10 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 (3 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-20100028257-A1 PHARMACEUTICAL COMPOUNDS OPRD1, OPRK1, OPRM1 HTR3A 179/4885
US-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use CHRNA7, CHRNA5, CHRNA2 HTR3A 59/4885
US-20100029622-A1 MICROEMULSIONS LIPA, APOB, LIPC HTR3A 1235/4885

“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.