SCHEMBL12735554

SCHEMBL12735554

CNC(=O)N1CCC2(CCCO2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
VNN1 O95497 3/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NAMPT P43490 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
FPR1 P21462 1/20 0.33
FPR2 P25090 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
KCNH2 Q12809 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL19160156 0.83 VNN1 (0.40) POLBVNN1KMT2APKMSMN1; SMN2
SCHEMBL13010322 0.82 SMN1; SMN2 (0.47) VNN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL368420 0.78 VNN1 (0.40) VNN1KMT2AALDH1A1NAMPTFPR1
SCHEMBL29542823 0.78 POLB (0.44) POLBKMT2ANAMPTCYP1A2
SCHEMBL2428734 0.77 VNN1 (0.40) VNN1ALDH1A1NAMPTFPR1FPR2
SCHEMBL13010536 0.77 VNN1 (0.40) VNN1ALDH1A1NAMPTFPR1FPR2
SCHEMBL27012796 0.76 OPRM1 (0.39) VNN1KMT2ASMN1; SMN2ALDH1A1EPHX2
SCHEMBL27009205 0.76 EPHX2 (0.45) VNN1KMT2ASMN1; SMN2ALDH1A1EPHX2
SCHEMBL23486716 0.75 NPC1 (0.61) KMT2ASMN1; SMN2ALDH1A1NAMPTEPHX2
SCHEMBL29985164 0.73 POLB (0.47) POLBKMT2AALDH1A1CYP1A2CYP2D6

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-1921077-B1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-26 EP disclosed
US-7928098-B2 Therapeutic and/or preventive agents for a sleep disorder KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-04-19 US disclosed
US-7928098-B2 Therapeutic and/or preventive agents for a sleep disorder KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-04-19 US disclosed
US-20100280023-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2010-11-04 US disclosed
US-20100280023-A1 THIAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2010-11-04 US disclosed
US-20100152162-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR A SLEEP DISORDER KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
US-20100152162-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR A SLEEP DISORDER KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
EP-1921077-A1 AGENT FOR TREATING AND/OR PREVENTING SLEEP DISORDER KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-05-14 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 (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-20100152162-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR A SLEEP DISORDER HCRTR1, MTNR1A, HCRTR2 POLB 3885/4885VNN1 3531/4885KMT2A 763/4885
US-20100280023-A1 THIAZOLE DERIVATIVES ADORA2A, ADORA3, GPR6 POLB 4475/4885VNN1 2792/4885KMT2A 3453/4885

“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.