SCHEMBL23014141

SCHEMBL23014141

COc1cccc(C(=O)CNC(=O)C2CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.60
MTNR1B P49286 11/20 0.60
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
POLB P06746 1/20 0.52
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50

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
SCHEMBL23014333 0.95 MTNR1A (0.65) MTNR1AMTNR1BNPC1RAB9APOLB
SCHEMBL23014560 0.82 MTNR1A (0.56) MTNR1AMTNR1BNPC1RAB9APOLB
SCHEMBL7440403 0.81 MTNR1A (0.63) MTNR1AMTNR1BNPC1RAB9APOLB
SCHEMBL7436967 0.80 ITGB3 (0.59) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL3846489 0.78 CES2 (0.61) MTNR1AMTNR1BNPC1RAB9APOLB
SCHEMBL442694 0.78 SMN1; SMN2 (0.53) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL406875 0.78 SMN1; SMN2 (0.53) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL1194055 0.78 MMP13 (0.58) NPC1RAB9APOLBBLMSMN1; SMN2
SCHEMBL23014327 0.78 SMN1; SMN2 (0.62) MTNR1AMTNR1BNPC1RAB9APOLB
SCHEMBL7309424 0.78 CES2 (0.65) NPC1RAB9ASMN1; SMN2KMT2ACES2

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
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND CELLGENTEK CO., LTD. (KR) 2023-05-18 US claimed
EP-4019495-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND Cellgentek Co., Ltd (KR) 2022-06-29 EP claimed
WO-2021034087-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND 주식회사 셀젠텍 2021-02-25 WO claimed
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND CELLGENTEK CO., LTD. (KR) 2023-05-18 US disclosed
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND CELLGENTEK CO., LTD. (KR) 2023-05-18 US disclosed
EP-4019495-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND Cellgentek Co., Ltd (KR) 2022-06-29 EP disclosed
EP-4019495-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND Cellgentek Co., Ltd (KR) 2022-06-29 EP 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-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND KNTC1, MED1, LEF1 MTNR1A 3436/4885MTNR1B 2814/4885NPC1 601/4885

“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.