SCHEMBL30003748

SCHEMBL30003748

CC(Br)c1cnc(C(F)(F)F)cn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.36
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
CYP2C19 P33261 1/20 0.33
CRHR2 Q13324 1/20 0.33
HCRTR1 O43613 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL24724319 1.00 TRPV4 (0.36) TRPV4CYP3A4CYP2D6TSHRCRHBP
SCHEMBL12197725 0.83 CYP3A4 (0.43) TRPV4CYP3A4CYP2D6TSHRCRHBP
SCHEMBL24774970 0.80 TRPV4 (0.36) TRPV4CYP3A4CYP2D6TSHRCRHBP
SCHEMBL20113151 0.80 TRPV4 (0.41) TRPV4CYP3A4CYP2D6TSHRCRHBP
SCHEMBL24635085 0.80 TRPV4 (0.36) TRPV4CYP3A4CYP2D6TSHRCRHBP
SCHEMBL24724318 0.80 TRPV4 (0.36) TRPV4CYP3A4CYP2D6TSHRCRHBP
SCHEMBL28807428 0.80 ESR1 (0.31)
SCHEMBL13093308 0.78 TRPV4 (0.35) TRPV4CYP3A4CYP2D6TSHRCRHBP
Hydrochloric Acid SCHEMBL29220543 0.78 TRPV4 (0.35) TRPV4CYP3A4CYP2D6TSHRCRHBP
Hydrochloric Acid SCHEMBL29220586 0.78 TRPV4 (0.35) TRPV4CYP3A4CYP2D6TSHRCRHBP

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-20240287070-A1 FUSED HETEROCYCLIC DERIVATIVES JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) 2024-08-29 US disclosed
US-20240279227-A1 FUSED HETEROCYCLIC DERIVATIVES JANSSEN BIOTECH, INC. 2024-08-22 US disclosed
CN-117881661-A Condensed heterocyclic derivative 杨森科学爱尔兰无限公司 2024-04-12 CN disclosed
EP-4347036-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2024-04-10 EP disclosed
EP-4347590-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2024-04-10 EP disclosed
CN-117715909-A Condensed heterocyclic derivative 杨森科学爱尔兰无限公司 2024-03-15 CN disclosed
WO-2022253255-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 WO disclosed
WO-2022253259-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-12-08 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 (2 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-20240287070-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 TRPV4 4510/4885CYP3A4 4/4885CYP2D6 41/4885
US-20240279227-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 TRPV4 4510/4885CYP3A4 4/4885CYP2D6 41/4885

“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.