SCHEMBL17754138

SCHEMBL17754138

CNC1CCN(c2cc(-c3ccccn3)ncn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.51
GPR39 O43194 1/20 0.46
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SMO Q99835 3/20 0.44
CYP1A2 P05177 4/20 0.43
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
CDC42BPB Q9Y5S2 1/20 0.43
CYP2C19 P33261 2/20 0.42
ALOX15 P16050 1/20 0.42

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 SCHEMBL17748962 0.99 HRH4 (0.50) HRH4GPR39NPC1TSHRRECQL
SCHEMBL360521 0.80 KDM4E (0.54) HRH4
SCHEMBL28381103 0.79 CKS1B (0.56) SMO
Hydrochloric Acid SCHEMBL27866106 0.79 KDM4E (0.52) HRH4
SCHEMBL19658510 0.76 OPRD1 (0.47) HRH4GPR39NPC1TSHRRECQL
SCHEMBL803812 0.76 HRH4 (0.56) HRH4
SCHEMBL27557095 0.76 HTR7 (0.59) HRH4GPR39SMOROCK2ROCK1
SCHEMBL20813432 0.75 ENPP1 (0.51) GPR39NPC1TSHRRECQLRAB9A
SCHEMBL17753925 0.75 HRH4 (0.55) HRH4
Hydrochloric Acid SCHEMBL785338 0.75 HRH4 (0.55) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 HRH4 241/4885GPR39 2990/4885NPC1 1229/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 HRH4 241/4885GPR39 2990/4885NPC1 1229/4885

“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.