SCHEMBL469186

SCHEMBL469186

C[C@H](c1ccc(C(F)(F)F)nc1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.47
CYP2C9 P11712 2/20 0.40
NR1I2 O75469 1/20 0.40
TRPV3 Q8NET8 11/20 0.38
P2RX7 Q99572 2/20 0.36
PDE2A O00408 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
SLC22A11 Q9NSA0 1/20 0.34

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
SCHEMBL13745241 0.83 TRPV4 (0.48) TRPV4CYP2C9NR1I2TRPV3P2RX7
SCHEMBL21346253 0.83 TRPV4 (0.48) TRPV4CYP2C9NR1I2TRPV3P2RX7
SCHEMBL19773439 0.83 TRPV4 (0.48) TRPV4CYP2C9NR1I2TRPV3P2RX7
SCHEMBL21341320 0.83 TRPV4 (0.42) TRPV4CYP2C9NR1I2TRPV3P2RX7
SCHEMBL2609310 0.82 TRPV4 (0.52) TRPV4CYP2C9NR1I2TRPV3P2RX7
SCHEMBL22585778 0.80 TRPV4 (0.46) TRPV4CYP2C9NR1I2TRPV3P2RX7
SCHEMBL15156613 0.80 TRPV4 (0.46) TRPV4CYP2C9NR1I2TRPV3P2RX7
SCHEMBL347477 0.79 TRPV4 (0.48) TRPV4CYP2C9NR1I2TRPV3P2RX7
SCHEMBL998305 0.79 TRPV4 (0.48) TRPV4CYP2C9NR1I2TRPV3P2RX7
SCHEMBL485040 0.79 TRPV4 (0.48) TRPV4CYP2C9NR1I2TRPV3P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-12-01 US disclosed
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-09-12 US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 US disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 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 (7 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 TRPV4 29/4885CYP2C9 4126/4885NR1I2 598/4885
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 TRPV4 29/4885CYP2C9 4126/4885NR1I2 598/4885
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 TRPV4 27/4885CYP2C9 3902/4885NR1I2 579/4885
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 TRPV4 27/4885CYP2C9 3902/4885NR1I2 579/4885
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA TRPV4 4556/4885CYP2C9 3075/4885NR1I2 2960/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA TRPV4 4556/4885CYP2C9 3075/4885NR1I2 2960/4885
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS SLC10A1, CYP7A1, FABP1 TRPV4 3117/4885CYP2C9 145/4885NR1I2 203/4885

“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.