SCHEMBL21459966

SCHEMBL21459966

Cc1ccccc1-c1cc(C=O)ccc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.36
ALDH1A1 P00352 3/20 0.36
ALDH1A3 P47895 2/20 0.36
TSHR P16473 1/20 0.34
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
BRD4 O60885 1/20 0.33
CYP2A6 P11509 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL26049082 0.75 ALDH1A1 (0.42) HTR2CALDH1A1ALDH1A3TSHRDRD2
SCHEMBL6988698 0.74 ALDH1A1 (0.50) ALDH1A1ALDH1A3TSHRCYP2A6
SCHEMBL21459434 0.74 RAB9A (0.50) ALDH1A1TSHR
SCHEMBL21459885 0.72 ALDH1A1 (0.56) ALDH1A1TSHR
SCHEMBL3586405 0.72 ALDH1A1 (0.46) ALDH1A1TSHRCYP2A6
SCHEMBL8031193 0.71 ALDH1A3 (0.49) ALDH1A1ALDH1A3DRD2DRD1DRD4
SCHEMBL3834329 0.71 ALDH1A1 (0.47) ALDH1A1ALDH1A3TSHRBRD4CYP2A6
SCHEMBL7570617 0.71 AR (0.44) ALDH1A1TSHR
SCHEMBL6628195 0.71 MYC (0.50) ALDH1A1TSHR
SCHEMBL3479559 0.70 BRD4 (0.47) ALDH1A1TSHRBRD4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3773573-B1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC INC (US) 2026-03-18 EP disclosed
US-12221416-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2025-02-11 US disclosed
US-20240294475-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2024-09-05 US disclosed
US-20220340529-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2022-10-27 US disclosed
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
EP-3773573-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) Morphic Therapeutic, Inc. (US) 2021-02-17 EP disclosed
CN-112312910-A Human integrin alpha 4 beta 7 antagonists 莫菲克医疗股份有限公司 2021-02-02 CN disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 US disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 US disclosed
US-10759756-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2020-09-01 US disclosed
US-10759756-B2 Antagonists of human integrin α4β7 MORPHIC THERAPEUTIC, INC. (US) 2020-09-01 US disclosed
WO-2019200202-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. (US) 2019-10-17 WO disclosed
WO-2019200202-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. (US) 2019-10-17 WO disclosed
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2019-10-17 US disclosed
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2019-10-17 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-12221416-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 HTR2C 3807/4885ALDH1A1 1396/4885ALDH1A3 2355/4885
US-20190315692-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 HTR2C 2697/4885ALDH1A1 1361/4885ALDH1A3 2361/4885
US-20220340529-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 HTR2C 2697/4885ALDH1A1 1361/4885ALDH1A3 2361/4885
US-20240294475-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 HTR2C 2697/4885ALDH1A1 1361/4885ALDH1A3 2361/4885
US-11174228-B2 Antagonists of human integrin (α4)(β7) ITGB7, ITGB4, ITGA4 HTR2C 3310/4885ALDH1A1 1457/4885ALDH1A3 2570/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 HTR2C 2697/4885ALDH1A1 1361/4885ALDH1A3 2361/4885
US-10759756-B2 Antagonists of human integrin α4β7 ITGB7, ITGB4, ITGA4 HTR2C 3807/4885ALDH1A1 1396/4885ALDH1A3 2355/4885

“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.