SCHEMBL14769877

SCHEMBL14769877

COC(c1cccnc1)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.50
SLC6A2 P23975 17/20 0.50
SLC6A3 Q01959 8/20 0.50
CYP2D6 P10635 1/20 0.47
KCNH2 Q12809 1/20 0.47
CFTR P13569 1/20 0.43
GOPC Q9HD26 1/20 0.43

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
SCHEMBL12282165 0.89 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL31691915 0.83 IDO1 (0.39) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL28435982 0.79 OPRM1 (0.45) SLC6A4SLC6A2SLC6A3CFTRGOPC
SCHEMBL19144912 0.77 IDO1 (0.64) SLC6A4SLC6A2SLC6A3
SCHEMBL2482817 0.74 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3CYP2D6CFTR
SCHEMBL6631615 0.74 CFTR (0.52) SLC6A4SLC6A2SLC6A3CFTRGOPC
SCHEMBL792191 0.74 CFTR (0.52) SLC6A4SLC6A2SLC6A3CFTRGOPC
Hydrochloric Acid SCHEMBL4795565 0.73 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3CYP2D6CFTR
SCHEMBL8795521 0.73 SMN1; SMN2 (0.53) SLC6A4SLC6A2SLC6A3CYP2D6CFTR
SCHEMBL30896272 0.73 SMN1; SMN2 (0.53) SLC6A4SLC6A2SLC6A3CYP2D6CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218612-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2023-07-13 US disclosed
US-20230218612-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2023-07-13 US disclosed
US-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2020-06-11 US disclosed
US-10548891-B2 Nitrogen-containing heterocyclic compound having inhibitory effect on production of kynurenine KYOWA HAKKO KIRIN CO., LTD. (JP) 2020-02-04 US disclosed
US-20150352106-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2015-12-10 US disclosed
US-20150352106-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2015-12-10 US disclosed
US-9150569-B2 Nitrogen-containing heterocyclic compound having inhibitory effect on production of kynurenine KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-10-06 US disclosed
US-9150569-B2 Nitrogen-containing heterocyclic compound having inhibitory effect on production of kynurenine KYOWA HAKKO KIRIN CO., LTD. (JP) 2015-10-06 US disclosed
EP-2570411-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING KYNURENINE PRODUCTION INHIBITORY ACTIVITY Kyowa Hakko Kirin Co., Ltd. (JP) 2013-03-20 EP disclosed
US-20130065905-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-03-14 US 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 (5 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-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 SLC6A4 122/4885SLC6A2 294/4885SLC6A3 300/4885
US-20150352106-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 SLC6A4 122/4885SLC6A2 294/4885SLC6A3 300/4885
US-10548891-B2 Nitrogen-containing heterocyclic compound having inhibitory effect on production of kynurenine KYNU, KMO, IDO1 SLC6A4 122/4885SLC6A2 294/4885SLC6A3 300/4885
US-20230218612-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 SLC6A4 122/4885SLC6A2 294/4885SLC6A3 300/4885
US-20130065905-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 SLC6A4 122/4885SLC6A2 288/4885SLC6A3 303/4885

“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.