Sugi Predict

Sugi Predict / Compounds / SCHEMBL759186

SCHEMBL759186

SCHEMBL759186

c1cnc(OC2CCNCC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 4/20 0.52
▸ IRAK4 Q9NWZ3 1/20 0.47
▸ ROCK1 Q13464 3/20 0.42
▸ IKBKB O14920 3/20 0.41
▸ HTR1A P08908 3/20 0.41
▸ SLC6A2 P23975 3/20 0.41
▸ SLC6A3 Q01959 3/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ CHUK O15111 2/20 0.39
▸ NMT1 P30419 1/20 0.39
▸ LCK P06239 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ CDC42BPB Q9Y5S2 1/20 0.38

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
Hydrochloric Acid SCHEMBL4713264 0.98 HRH1 (0.50) HRH1IRAK4ROCK1IKBKBHTR1A
Hydrochloric Acid SCHEMBL2447452 0.98 HRH1 (0.50) HRH1IRAK4ROCK1IKBKBHTR1A
SCHEMBL7889387 0.88 CHRNB2 (0.54) IRAK4HTR1ASLC6A2CHRNB2CHRNA4
SCHEMBL4102786 0.88 CHRNB2 (0.54) IRAK4HTR1ASLC6A2CHRNB2CHRNA4
SCHEMBL28739277 0.84 EPHX2 (0.40) HRH1IRAK4HTR1A
Hydrochloric Acid SCHEMBL4107967 0.83 IRAK4 (0.43) HRH1IRAK4ROCK1IKBKBHTR1A
SCHEMBL27859859 0.80 CDK4 (0.41) —
SCHEMBL940760 0.79 HRH1 (0.43) HRH1IRAK4ROCK1IKBKBHTR1A
SCHEMBL27571710 0.79 HRH1 (0.43) HRH1IRAK4ROCK1IKBKBHTR1A
SCHEMBL29003859 0.79 HRH1 (0.43) HRH1IRAK4ROCK1IKBKBHTR1A

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 180 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. 2023-01-12 — — US claimed
EP-4058145-A1 HETEROCYCLIC TRPML1 AGONISTS Libra Therapeutics, Inc. (US) 2022-09-21 — — EP claimed
WO-2021094974-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. (US) 2021-05-20 — — WO claimed
EP-3821947-A1 HETEROCYCLIC TRPML1 AGONISTS Libra Therapeutics, Inc. (US) 2021-05-19 — — EP claimed
EP-1558595-B1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA NV (BE) 2009-11-25 — — EP claimed
US-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES APODACA RICHARD L 2008-03-06 — — US claimed
US-20070072837-A1 Phenylalkynes APODACA RICHARD 2007-03-29 — — US claimed
EP-1451167-B1 PHENYLALKYNES ORTHO MCNEIL PHARM INC (US) 2006-03-08 — — EP claimed
EP-1567494-A1 METHODS FOR PREPARING PHENYLALKYNE DERIVATIVES Ortho-McNeil Pharmaceutical, Inc. (US) 2005-08-31 — — EP claimed
EP-1558595-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-08-03 — — EP claimed
EP-1556046-A1 PHENYLPIPERIDINES AND PHENYLPYRROLIDINES AS HISTAMINE H3 RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2005-07-27 — — EP claimed
EP-1451167-A1 PHENYLALKYNES Ortho-McNeil Pharmaceutical, Inc. (US) 2004-09-01 — — EP claimed
WO-2004050623-A1 METHODS FOR PREPARING PHENYLALKYNE DERIVATIVES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2004-06-17 — — WO claimed
US-20040110746-A1 Piperazinyl and diazapanyl benzamides and benzthioamides JANSSEN PHARMACEUTICA N.V. (BE) 2004-06-10 — — US claimed
WO-2004037801-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 — — WO claimed
WO-2004037257-A1 PHENYLPIPERIDINES AND PHENYLPYRROLIDINES AS HISTAMINE H3 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-05-06 — — WO claimed
US-20040087573-A1 Phenylpiperidines and phenylpyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 2004-05-06 — — US claimed
US-20040002604-A1 Phenylalkynes ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-01-01 — — US claimed
US-20030144323-A1 For treatment of disorders and conditions mediated by the histamine receptor; allergies, sleep disorders, dementia ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-31 — — US claimed
WO-2003050099-A1 PHENYLALKYNES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20040087573-A1 Phenylpiperidines and phenylpyrrolidines HRH2, HNMT, HRH3 HRH1 7/4885IRAK4 1418/4885ROCK1 2033/4885
US-20080056991-A1 PIPERAZINYL AND DIAZAPANYL BENZAMIDES AND BENZTHIOAMIDES HRH2, HNMT, HRH3 HRH1 5/4885IRAK4 2655/4885ROCK1 4195/4885
US-20070072837-A1 Phenylalkynes HRH2, HRH3, HNMT HRH1 9/4885IRAK4 1329/4885ROCK1 3127/4885
US-20040110746-A1 Piperazinyl and diazapanyl benzamides and benzthioamides HRH2, HNMT, HRH3 HRH1 5/4885IRAK4 2655/4885ROCK1 4195/4885
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS TRPM7, TRPM2, TRPM5 HRH1 517/4885IRAK4 1869/4885ROCK1 4297/4885
US-20030144323-A1 For treatment of disorders and conditions mediated by the histamine receptor; allergies, sleep disorders, dementia HRH3, HRH2, HRH4 HRH1 5/4885IRAK4 2169/4885ROCK1 3050/4885
US-20040002604-A1 Phenylalkynes HRH2, HRH3, HNMT HRH1 9/4885IRAK4 1329/4885ROCK1 3127/4885

“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.