SCHEMBL10079148

SCHEMBL10079148

NCC(=O)c1ccc2ccn(C3CCNCC3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1F P30939 1/20 0.40
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
TYK2 P29597 3/20 0.37
JAK3 P52333 3/20 0.37
SCD O00767 1/20 0.37
KHK P50053 2/20 0.36
MAP3K5 Q99683 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4C Q9H3R0 1/20 0.34
RORC P51449 1/20 0.34
SLC6A4 P31645 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL3962847 0.86 JAK2 (0.44) HTR1AHTR1DHTR1BHTR1FJAK2
SCHEMBL543803 0.80 ALDH1A1 (0.49) HTR1AHTR1DHTR1BHTR1FSCD
SCHEMBL544399 0.80 HTR1A (0.47) HTR1AHTR1DHTR1BHTR1FSCD
Hydrochloric Acid SCHEMBL544385 0.79 ALDH1A1 (0.48) HTR1AHTR1DHTR1BHTR1FSCD
SCHEMBL12459068 0.76 KDM4C (0.39) HTR1AHTR1DHTR1BHTR1FSCD
SCHEMBL30344212 0.76 HTR1A (0.46) HTR1AHTR1DHTR1BHTR1FJAK2
SCHEMBL10079469 0.74 SMN1; SMN2 (0.50) MEN1CYP2D6KMT2ACYP3A4CYP2C9
SCHEMBL5871634 0.73 HTR7 (0.40) HTR1AHTR1DHTR1BHTR1FKDM4C
SCHEMBL5871970 0.73 SCD (0.46) HTR1AHTR1DHTR1BHTR1FSCD
SCHEMBL4717916 0.73 SCD (0.45) SCDKDM4CKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110688-B2 Method for producing indole derivative having piperidine ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-02-07 US disclosed
EP-1880995-B1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING EISAI R&D MAN CO LTD (JP) 2011-12-21 EP disclosed
US-20100197926-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-05 US disclosed
EP-1880995-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING Eisai R&D Management Co., Ltd. (JP) 2008-01-23 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-20100197926-A1 METHOD FOR PRODUCING INDOLE DERIVATIVE HAVING PIPERIDINE RING IDO2, IDO1, TPH2 HTR1A 18/4885HTR1D 11/4885HTR1B 54/4885

“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.