SCHEMBL18319632

SCHEMBL18319632

CC(C)CC1(C#N)CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.57
CYP3A4 P08684 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SIGMAR1 Q99720 2/20 0.47
OPRL1 P41146 3/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP2D6 P10635 2/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
MC4R P32245 1/20 0.45
LMNA P02545 1/20 0.44
KDM4E B2RXH2 1/20 0.43
KCNH2 Q12809 1/20 0.43
CCR5 P51681 1/20 0.43

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
SCHEMBL6636176 0.84 OPRM1 (0.61) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL4630573 0.82 OPRM1 (0.63) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL16915778 0.81 OPRM1 (0.58) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL9231786 0.81 OPRM1 (0.61) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL989783 0.81 OPRM1 (0.61) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL14902471 0.79 OPRM1 (0.60) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL30328950 0.78 OPRM1 (0.55) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL24712978 0.77 OPRM1 (0.65) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL15461526 0.77 CYP2D6 (0.59) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL12022949 0.77 OPRM1 (0.69) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112625028-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2024-10-29 CN disclosed
CN-112625028-A Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2021-04-09 CN disclosed
CN-107922388-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2020-12-29 CN disclosed
CN-107787323-B Compounds and compositions for inhibiting SHP2 activity 诺华股份有限公司 2020-09-01 CN disclosed
EP-3310771-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2020-07-22 EP disclosed
EP-3310774-B1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2020-04-29 EP disclosed
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-06-04 US disclosed
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 NOVARTIS AG (CH) 2019-05-14 US disclosed
US-20180251471-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-09-06 US disclosed
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-07-05 US disclosed
EP-3310774-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 Novartis AG (CH) 2018-04-25 EP disclosed
EP-3310771-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 Novartis AG (CH) 2018-04-25 EP disclosed
WO-2016203406-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 WO disclosed
WO-2016203405-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 NOVARTIS AG (CH) 2016-12-22 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 (4 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-20180251471-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN3, PTPN1, PTPN2 OPRM1 3849/4885CYP3A4 3488/4885HSD17B10 3560/4885
US-20180186770-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN3, PTPN2 OPRM1 4055/4885CYP3A4 4085/4885HSD17B10 3774/4885
US-10308660-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN3, PTPN1, PTPN2 OPRM1 3849/4885CYP3A4 3488/4885HSD17B10 3560/4885
US-10287266-B2 Compounds and compositions for inhibiting the activity of SHP2 PTPN1, PTPN3, PTPN2 OPRM1 4125/4885CYP3A4 3991/4885HSD17B10 3777/4885

“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.