SCHEMBL23014362

SCHEMBL23014362

O=C(CNC(=O)c1ccccc1CN1CCN(c2ccccn2)CC1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.49
▸ THRB P10828 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ DRD2 P14416 4/20 0.48
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HTR7 P34969 4/20 0.47
▸ DRD4 P21917 4/20 0.47
▸ HTR2A P28223 3/20 0.47
▸ HTR2C P28335 3/20 0.47
▸ DRD3 P35462 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL23014307 0.89 HTR1A (0.56) HTR1AALDH1A1NPSR1DRD2SMN1; SMN2
SCHEMBL23014235 0.84 HTR1A (0.58) HTR1ATHRBNPSR1DRD2LMNA
SCHEMBL23014151 0.82 ALDH1A1 (0.56) HTR1AALDH1A1THRBNPSR1DRD2
SCHEMBL23014306 0.80 L3MBTL1 (0.49) ALDH1A1NPSR1LMNASMN1; SMN2HPGD
SCHEMBL23014138 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDTSHRPOLB
SCHEMBL23014093 0.76 ALDH1A1 (0.57) ALDH1A1LMNASMN1; SMN2HSD17B10TSHR
SCHEMBL4004278 0.75 ALDH1A1 (0.69) HTR1AALDH1A1THRBNPSR1DRD2
SCHEMBL23014109 0.74 L3MBTL1 (0.51) ALDH1A1TSHRPOLBKDM4ERECQL
SCHEMBL29733708 0.74 L3MBTL1 (0.51) ALDH1A1TSHRPOLBKDM4ERECQL
SCHEMBL6351416 0.74 HTR1A (1.00) HTR1ADRD2LMNASMN1; SMN2HTR7

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 8 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
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 HTR1A 4359/4885ALDH1A1 1404/4885THRB 4208/4885

“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.

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