SCHEMBL17817490

SCHEMBL17817490

OC(c1ccccc1)C(CN1CCCCC1)CN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
HTT P42858 2/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
HIF1A Q16665 1/20 0.51
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MITF O75030 1/20 0.50
RAB9A P51151 1/20 0.50
GFER P55789 1/20 0.50
PAX8 Q06710 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.47
MAOB P27338 1/20 0.47
GAA P10253 1/20 0.47
UGCG Q16739 1/20 0.47
NTSR1 P30989 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
SCHEMBL10942425 0.85 TSHR (0.68) HTTCYP2D6TSHRHIF1AKDM4E
SCHEMBL17937317 0.83 UGCG (0.44) CYP2D6TSHRHIF1AKDM4EMAOB
SCHEMBL10938876 0.83 KDM4E (0.67) HTTCYP2D6TSHRHIF1AKDM4E
SCHEMBL17016723 0.83 ALDH1A1 (0.49) ALDH1A1HTTCYP2D6TSHRHIF1A
SCHEMBL7428017 0.83 CYP1A2 (0.54) ALDH1A1HTTCYP2D6TSHRHIF1A
SCHEMBL8223804 0.81 GAA (0.69) ALDH1A1HTTCYP2D6TSHRHIF1A
SCHEMBL12573567 0.81 GAA (0.69) ALDH1A1HTTCYP2D6TSHRHIF1A
SCHEMBL1460306 0.81 GAA (0.69) ALDH1A1HTTCYP2D6TSHRHIF1A
SCHEMBL7679162 0.81 ALDH1A1 (0.49) ALDH1A1HTTCYP2D6TSHRHIF1A
SCHEMBL1205842 0.79 GAA (0.71) ALDH1A1HTTKDM4EMEN1KMT2A

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
WO-2021252290-A2 COMPOSITIONS AND METHODS FOR TREATING NOVEL CORONAVIRUS SARS-COV-2-MEDIATED INFLAMMATORY CONDITIONS GRI BIO, INC. (US) 2021-12-16 WO disclosed
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
WO-2016094226-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GLYCOREGIMMUNE, INC. (US) 2016-06-16 WO disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 US 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 ALDH1A1 999/4885HTT 4263/4885CYP2D6 4407/4885

“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.