SCHEMBL20698402

SCHEMBL20698402

COCCCN1CC(O)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.44
GLB1 P16278 1/20 0.41
GUSB P08236 2/20 0.38
HTR1A P08908 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HRH3 Q9Y5N1 4/20 0.34
HRH2 P25021 2/20 0.34
HRH1 P35367 2/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 1/20 0.33
HTR4 Q13639 2/20 0.33

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
SCHEMBL9921265 0.84 HRH3 (0.49) HTR1AHRH3HRH2HRH1
SCHEMBL12717290 0.84 HRH3 (0.49) HTR1AHRH3HRH2HRH1
SCHEMBL13552419 0.84 HRH3 (0.49) HTR1AHRH3HRH2HRH1
SCHEMBL12717292 0.81 HTR1A (0.58) HTR1AHRH3HRH2HRH1
SCHEMBL20698407 0.81 HTR1A (0.58) HTR1AHRH3HRH2HRH1
SCHEMBL14419811 0.81 HTR1A (0.58) HTR1AHRH3HRH2HRH1
SCHEMBL12717293 0.79 HRH3 (0.47) GBA1SIGMAR1HRH3HRH2HRH1
SCHEMBL21000316 0.79 GLB1 (0.42) GBA1GLB1GUSBHTR1ASIGMAR1
SCHEMBL23023305 0.78 GBA1 (0.37) GBA1GLB1GUSBSIGMAR1HRH3
SCHEMBL19174517 0.78 EHMT2 (0.38) GBA1GLB1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023194458-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER WMT AG (DE) 2023-10-12 WO disclosed
US-11708326-B2 Immunomodulator compounds CHEMOCENTRYX, INC. (US) 2023-07-25 US disclosed
EP-3664793-B1 MACROCYCLIC IMMUNOMODULATORS CHEMOCENTRYX INC (US) 2022-06-29 EP disclosed
EP-3658522-B1 IMMUNOMODULATOR COMPOUNDS CHEMOCENTRYX INC (US) 2021-12-22 EP disclosed
US-20210236476-A1 METHODS OF TREATING CANCER WITH SMALL MOLECULE PD-L1 INHIBITORS CHEMOCENTRYX, INC. 2021-08-05 US disclosed
WO-2021129820-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND 微境生物医药科技(上海)有限公司 2021-07-01 WO disclosed
WO-2020047035-A1 METHODS OF TREATING CANCER WITH SMALL MOLECULE PD-L1 INHIBITORS CHEMOCENTRYX, INC. (US) 2020-03-05 WO disclosed
WO-2019032547-A1 MACROCYCLIC IMMUNOMODULATORS CHEMOCENTRYX, INC. (US) 2019-02-14 WO disclosed
WO-2019023575-A1 IMMUNOMODULATOR COMPOUNDS CHEMOCENTRYX, INC. (US) 2019-01-31 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-11708326-B2 Immunomodulator compounds IL2, FCGRT, IFNG GBA1 1845/4885GLB1 923/4885GUSB 958/4885
US-20210236476-A1 METHODS OF TREATING CANCER WITH SMALL MOLECULE PD-L1 INHIBITORS CD4, CD274, PDCD1 GBA1 4526/4885GLB1 2706/4885GUSB 4176/4885

“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.