SCHEMBL21361930

SCHEMBL21361930

CCCCC(CCC)CCc1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.41
TERT O14746 1/20 0.40
TAAR1 Q96RJ0 8/20 0.37
HTR1A P08908 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX15 P16050 1/20 0.36
TXN P10599 1/20 0.35
TXNRD1 Q16881 1/20 0.35
F2RL1 P55085 3/20 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
SCHEMBL19732268 0.97 TBXAS1 (0.42) TBXAS1TERTTAAR1HTR1ACYP1A2
SCHEMBL19185691 0.92 TBXAS1 (0.43) TBXAS1TERTTAAR1HTR1ACYP1A2
SCHEMBL19185693 0.92 TBXAS1 (0.43) TBXAS1TERTTAAR1HTR1ACYP1A2
SCHEMBL19185670 0.92 TBXAS1 (0.43) TBXAS1TERTTAAR1HTR1ACYP1A2
SCHEMBL19732390 0.92 TBXAS1 (0.43) TBXAS1TERTTAAR1HTR1ACYP1A2
SCHEMBL19185674 0.92 TBXAS1 (0.43) TBXAS1TERTTAAR1HTR1ACYP1A2
SCHEMBL19185636 0.92 TBXAS1 (0.43) TBXAS1TERTTAAR1HTR1ACYP1A2
SCHEMBL19185667 0.92 TBXAS1 (0.43) TBXAS1TERTTAAR1HTR1ACYP1A2
Bromide SCHEMBL30124812 0.90 TBXAS1 (0.42) TBXAS1TERTTAAR1HTR1ACYP1A2
Bromide SCHEMBL30124578 0.90 TBXAS1 (0.42) TBXAS1TERTTAAR1HTR1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-08-05 US disclosed
US-20210002254-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-01-07 US disclosed
US-10736881-B2 Benzimidazole derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2020-08-11 US disclosed
US-20190282547-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD. (SG) 2019-09-19 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 (5 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-20190282547-A1 BENZIMIDAZOLE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC5, HDAC1, HDAC8 TBXAS1 2751/4885TERT 2540/4885TAAR1 4762/4885
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R TBXAS1 2048/4885TERT 4247/4885TAAR1 247/4885
US-10736881-B2 Benzimidazole derivatives: preparation and pharmaceutical applications HDAC5, HDAC1, HDAC8 TBXAS1 2751/4885TERT 2540/4885TAAR1 4762/4885
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R TBXAS1 2048/4885TERT 4247/4885TAAR1 247/4885
US-20210002254-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R TBXAS1 2048/4885TERT 4247/4885TAAR1 247/4885

“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.