SCHEMBL2616312

SCHEMBL2616312

CN1CCC(CN2CCc3ccccc3C2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
ACHE P22303 1/20 0.55
DRD2 P14416 3/20 0.54
TP53 P04637 1/20 0.54
THRB P10828 4/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.48

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
SCHEMBL38653916 0.90 DRD2 (0.59) ACHEDRD2TP53THRBLMNA
Fumaric Acid SCHEMBL10414107 0.88 DRD2 (0.54) ACHEDRD2TP53THRBLMNA
Fumaric Acid SCHEMBL10414108 0.88 DRD2 (0.54) ACHEDRD2TP53THRBLMNA
SCHEMBL38653251 0.87 PRMT5 (0.54) DRD2TP53
SCHEMBL2437081 0.85 PRMT5 (0.56) DRD2
Hydrochloric Acid SCHEMBL14974971 0.84 PRMT5 (0.55) DRD2
SCHEMBL2793079 0.83 DRD2 (0.50) ACHEDRD2TP53THRBLMNA
SCHEMBL7540594 0.82 ACHE (0.76) ACHE
Hydrochloric Acid SCHEMBL1625872 0.81 DRD2 (0.49) ACHEDRD2TP53THRBLMNA
Hydrochloric Acid SCHEMBL10415650 0.81 DRD2 (0.49) ACHEDRD2TP53THRBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 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 (2 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-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B MAOA 1755/4885MAOB 3228/4885ACHE 4026/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B MAOA 1755/4885MAOB 3228/4885ACHE 4026/4885

“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.