SCHEMBL24712978

SCHEMBL24712978

CC1(C#N)CCN(Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.65
CYP3A4 P08684 2/20 0.56
HSD17B10 Q99714 1/20 0.56
SIGMAR1 Q99720 4/20 0.55
OPRL1 P41146 3/20 0.53
MC4R P32245 1/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP2C9 P11712 2/20 0.51
TSHR P16473 2/20 0.51
CYP2C19 P33261 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1A Q16665 1/20 0.51
CYP2D6 P10635 3/20 0.50
LMNA P02545 1/20 0.50
ACHE P22303 1/20 0.49
CCR3 P51677 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL2275141 0.90 OPRM1 (0.57) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL12022949 0.83 OPRM1 (0.69) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL2331319 0.81 OPRM1 (0.61) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL24093376 0.81 OPRM1 (0.57) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL6636176 0.81 OPRM1 (0.61) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL12013906 0.80 SIGMAR1 (0.65) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL1587072 0.80 OPRM1 (0.65) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL62966 0.80 OPRM1 (0.65) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL22050088 0.80 OPRM1 (0.60) OPRM1CYP3A4HSD17B10SIGMAR1OPRL1
SCHEMBL5242605 0.80 OPRM1 (0.60) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114981268-B Pyrimidine-4 (3H) -ketone heterocyclic compound, preparation method and application thereof in medicine 北京诺诚健华医药科技有限公司 2025-01-28 CN disclosed
US-20230219946-A1 PYRIMIDIN-4(3H)-ONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2023-07-13 US disclosed
US-20230219946-A1 PYRIMIDIN-4(3H)-ONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2023-07-13 US disclosed
CN-114127053-B Substituted pyrazine compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-06-13 CN disclosed
EP-4092024-A1 PYRIMIDINE-4(3H)-KETONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE AND PHARMACOLOGY Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2022-11-23 EP disclosed
EP-4092024-A1 PYRIMIDINE-4(3H)-KETONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE AND PHARMACOLOGY Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2022-11-23 EP disclosed
CN-114981268-A Pyrimidine-4 (3H) -ketone heterocyclic compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-08-30 CN 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-20230219946-A1 PYRIMIDIN-4(3H)-ONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL USE THEREOF PTPN5, PTPN1, JAK2 OPRM1 4521/4885CYP3A4 868/4885HSD17B10 2767/4885

“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.