SCHEMBL24641978

SCHEMBL24641978

CN1CCN(c2ccc(CNCCc3ccccc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.56
HTR6 P50406 8/20 0.54
NCF1 P14598 1/20 0.54
CCR3 P51677 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HTR2A P28223 3/20 0.49
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A2 P23975 1/20 0.48
HRH2 P25021 1/20 0.48
HTR1D P28221 1/20 0.48
HTR7 P34969 1/20 0.48
HTR5A P47898 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
SCHEMBL24641663 0.84 MAPT (0.57) MAPTGAANPC1RAB9AHTR5A
SCHEMBL29939233 0.82 ALDH1A1 (0.53) MAPTGAANPC1RAB9AHTR2A
SCHEMBL24641958 0.81 HTR6 (0.62) MAPTGAAHTR6NPSR1NPC1
SCHEMBL10118903 0.79 NCF1 (0.62) MAPTGAAHTR6NCF1ADRA2C
SCHEMBL13657312 0.78 NCF1 (0.55) MAPTGAANCF1NPC1RAB9A
SCHEMBL22794721 0.78 NCF1 (0.62) MAPTGAANCF1ADRA2C
SCHEMBL7582559 0.78 NCF1 (0.57) MAPTGAAHTR6NCF1NPSR1
SCHEMBL30855058 0.78 GAA (0.60) MAPTGAAHTR6NCF1NPC1
SCHEMBL3272134 0.78 GAA (0.91) MAPTGAASIGMAR1BCHE
SCHEMBL11881258 0.78 GAA (0.91) MAPTGAASIGMAR1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115215823-B FXR modulator, preparation method, pharmaceutical composition and application thereof 北京百思致道管理顾问中心(有限合伙) 2024-07-26 CN disclosed
US-20240239775-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF BEIJING BEST PATHWAY MANAGEMENT CONSULTING CENTER (LIMITED PARTNERSHIP) (CN) 2024-07-18 US disclosed
EP-4324825-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF Beijing Best Pathway Management Consulting Center (Limited Partnership) (CN) 2024-02-21 EP disclosed
CN-115215823-A FXR (FXR) regulator and preparation method, pharmaceutical composition and application thereof 青岛睿吉医疗技术有限公司 2022-10-21 CN disclosed
WO-2022218440-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 青岛睿吉医疗技术有限公司 2022-10-20 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 (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-20240239775-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF SLC10A1, NR1H4, FXR1 MAPT 464/4885GAA 2236/4885HTR6 2887/4885

“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.