SCHEMBL7670563

SCHEMBL7670563

CC(C)(N)Cc1ccc2c(c1)CCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.45
▸ RAB9A P51151 3/20 0.43
▸ KDM1A O60341 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.40
▸ TAS1R1 Q7RTX1 1/20 0.40

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
SCHEMBL10254340 0.87 RAB9A (0.45) PRKCIRAB9AKDM1AMAOAMAOB
SCHEMBL28348850 0.84 RAB9A (0.46) PRKCIRAB9AKDM1AMAOAMAOB
SCHEMBL19821668 0.83 RAB9A (0.42) PRKCIRAB9AKDM1AMAOAMAOB
SCHEMBL11927944 0.83 RAB9A (0.42) PRKCIRAB9AKDM1AMAOAMAOB
SCHEMBL28133179 0.80 RAB9A (0.39) PRKCIRAB9AKDM1AMAOAMAOB
SCHEMBL1276487 0.78 RAB9A (0.46) PRKCIRAB9AKDM1AMAOAMAOB
SCHEMBL30965 0.78 KDM4E (0.51) PRKCIRAB9AKDM1AMAOAMAOB
SCHEMBL448730 0.78 PRKCI (0.51) PRKCIRAB9AKDM1AMAOAMAOB
SCHEMBL8276391 0.77 CTNNB1 (0.43) PRKCIRAB9AKDM1AMAOAMAOB
SCHEMBL14000463 0.77 RAB9A (0.43) PRKCIRAB9AKDM1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106554350-B Benzo heterocyclic derivative with beta 2 agonist activity and its prepn and application 四川海思科制药有限公司 2019-12-20 — — CN disclosed
CN-106554350-A Benzheterocyclic derivatives with 2 agonist activities of β and its preparation method and application 四川海思科制药有限公司 2017-04-05 — — CN disclosed
US-20020052509-A1 Calcilytic compounds and method of use SMITHKLINE BEECHAM CORPORATION 2002-05-02 — — US disclosed
EP-1069901-A4 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORP (US) 2001-06-13 — — EP disclosed
EP-1069901-A1 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORPORATION (US) 2001-01-24 — — EP disclosed
WO-1999051241-A1 CALCILYTIC COMPOUNDS AND METHOD OF USE SMITHKLINE BEECHAM CORPORATION (US) 1999-10-14 — — 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-20020052509-A1 Calcilytic compounds and method of use SOST, CALCR, PTH1R PRKCI 1048/4885RAB9A 2133/4885KDM1A 4767/4885

“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.

Send feedback