SCHEMBL242536

SCHEMBL242536

CCn1ncc2c1Nc1cc(F)ccc1N(C(=O)C1CCN(c3ccc(C)cn3)CC1)C2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.47
TACR3 P29371 12/20 0.43
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
SLC6A9 P48067 2/20 0.37
AVPR1A P37288 1/20 0.37

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
SCHEMBL195799 0.91 AVPR1A (0.47) IDH1TACR3AVPR1A
SCHEMBL244202 0.87 IDH1 (0.47) IDH1TACR3HCRTR1HCRTR2SLC6A9
SCHEMBL196446 0.82 AVPR1A (0.41) IDH1TACR3AVPR1A
SCHEMBL9983416 0.81 IDH1 (0.49) IDH1HCRTR1HCRTR2
SCHEMBL243038 0.80 AVPR1A (0.49) IDH1TACR3AVPR1A
SCHEMBL244113 0.80 AVPR1A (0.49) IDH1TACR3AVPR1A
SCHEMBL239211 0.77 AVPR1A (0.47) IDH1AVPR1A
SCHEMBL195566 0.77 AVPR1A (0.50) IDH1TACR3AVPR1A
SCHEMBL9983698 0.75 IDH1 (0.54) IDH1AVPR1A
SCHEMBL236583 0.75 CHRM4 (0.46) IDH1AVPR1A

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-2401279-A1 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS Vantia Limited (GB) 2012-01-04 EP claimed
US-20110312941-A1 1,4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2011-12-22 US claimed
WO-2010097576-A9 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2010-10-21 WO claimed
WO-2010097576-A1 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2010-09-02 WO claimed
EP-2401279-A1 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS Vantia Limited (GB) 2012-01-04 EP disclosed
US-20110312941-A1 1,4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2011-12-22 US disclosed
WO-2010097576-A9 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2010-10-21 WO disclosed
WO-2010097576-A1 1, 4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS VANTIA LIMITED (GB) 2010-09-02 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 (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-20110312941-A1 1,4-DISUBSTITUTED PIPERIDINES AS VASOPRESSIN RECEPTOR VIA ANTAGONISTS AVPR2, AVPR1A, AVPR1B IDH1 4436/4885TACR3 309/4885HCRTR1 144/4885

“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.