SCHEMBL21164276

SCHEMBL21164276

CCCC(CC)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NR1I2 O75469 1/20 0.31

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
SCHEMBL7929733 0.88 NR1I2 (0.39) TSHRNR1I2
SCHEMBL20090854 0.87 RAPGEF4 (0.33)
SCHEMBL12646232 0.86 TSHR (0.42) TSHRESR1ESR2MEN1MAPT
SCHEMBL7835263 0.83 OPRM1 (0.34) TSHRESR1ESR2
SCHEMBL19278380 0.82 MEN1 (0.34) TSHRESR1ESR2MEN1KMT2A
SCHEMBL20372814 0.80 OPRM1 (0.43)
SCHEMBL16770710 0.80 TSHR (0.36) TSHRESR1ESR2MEN1MAPT
SCHEMBL16771268 0.80 TSHR (0.36) TSHRESR1ESR2MEN1MAPT
SCHEMBL26169680 0.79 P2RX7 (0.33)
SCHEMBL24597837 0.78 ESR1 (0.44) TSHRESR1ESR2MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 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-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A TSHR 1218/4885ESR1 3323/4885ESR2 2059/4885

“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.