SCHEMBL10116217

SCHEMBL10116217

CCC(C)c1ccc(F)cn1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.46
ESR1 P03372 5/20 0.40
ESR2 Q92731 5/20 0.40
HRH1 P35367 1/20 0.37
KCNH2 Q12809 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
JAK2 O60674 2/20 0.35
JAK3 P52333 2/20 0.35
MAPK1 P28482 1/20 0.34
NTRK1 P04629 2/20 0.33
KMO O15229 1/20 0.33
GRK6 P43250 1/20 0.32

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
SCHEMBL469177 1.00 APLNR (0.46) APLNRESR1ESR2HRH1KCNH2
SCHEMBL18596819 1.00 APLNR (0.46) APLNRESR1ESR2HRH1KCNH2
SCHEMBL14472465 1.00 APLNR (0.46) APLNRESR1ESR2HRH1KCNH2
SCHEMBL18885418 0.85 APLNR (0.44) APLNRESR1ESR2HRH1KCNH2
SCHEMBL13365274 0.82 APLNR (0.49) APLNRESR1ESR2HRH1KCNH2
SCHEMBL19523028 0.82 ESR1 (0.46) APLNRESR1ESR2HRH1KCNH2
SCHEMBL31392878 0.80 APLNR (0.50) APLNRESR1ESR2HRH1KCNH2
SCHEMBL31489711 0.80 APLNR (0.50) APLNRESR1ESR2HRH1KCNH2
SCHEMBL22585597 0.80 APLNR (0.50) APLNRESR1ESR2HRH1KCNH2
SCHEMBL30218199 0.80 APLNR (0.50) APLNRESR1ESR2HRH1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239790-A1 7-Morpholino-1,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor LIFEARC (GB) 2024-07-18 US disclosed
US-20230183264-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2023-06-15 US disclosed
US-11634425-B2 Pharmaceutical compounds PFIZER INC. (US) 2023-04-25 US disclosed
WO-2021156636-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY KING'S COLLEGE LONDON (GB) 2021-08-12 WO disclosed
EP-2714703-B1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE NEWGEN THERAPEUTICS INC (US) 2021-03-10 EP disclosed
US-10647744-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2020-05-12 US disclosed
US-10398706-B2 Heteroaryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2019-09-03 US disclosed
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-03 US disclosed
US-RE47415-E1 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-06-04 US disclosed
EP-3074402-B1 BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME (US) 2019-01-16 EP disclosed
US-20180193352-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2018-07-12 US disclosed
US-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 US disclosed
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-9790169-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-17 US disclosed
US-9586968-B2 Bicycloamine-substituted-N-benzenesulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 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 (9 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-20240239790-A1 7-Morpholino-1,6-Naphthyridin-5-yl Derivatives and Pharmaceutical Compositions Thereof Useful as DNA-PK Inhibitor DCK, ERCC2, POLK APLNR 3540/4885ESR1 3609/4885ESR2 2511/4885
US-10398706-B2 Heteroaryldiazepine derivatives as RSV inhibitors CYP3A5, CYP3A43, CYP3A4 APLNR 4303/4885ESR1 2173/4885ESR2 2156/4885
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 APLNR 192/4885ESR1 1547/4885ESR2 1209/4885
US-10647744-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP APLNR 2144/4885ESR1 874/4885ESR2 523/4885
US-20230183264-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 APLNR 4684/4885ESR1 3424/4885ESR2 1986/4885
US-20180072660-A1 INHIBITORS OF INDOLEAMINE-2,3-DIOXYGENASE FOR THE TREATMENT OF CANCER IDO1, IDO2, INMT APLNR 2049/4885ESR1 2700/4885ESR2 1201/4885
US-10399933-B2 Inhibitors of indoleamine-2,3-dioxygenase for the treatment of cancer IDO1, IDO2, INMT APLNR 2049/4885ESR1 2700/4885ESR2 1201/4885
US-11634425-B2 Pharmaceutical compounds GABRA6, CHRNA6, CNR1 APLNR 4316/4885ESR1 1851/4885ESR2 1331/4885
US-20180193352-A1 HETEROARYLDIAZEPINE DERIVATIVES AS RSV INHIBITORS CYP3A5, CYP3A43, CYP3A4 APLNR 4303/4885ESR1 2173/4885ESR2 2156/4885

“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.